Lactic Acid

Lactic Acid

SCHEMBL974011

CC(O)C(=O)O.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nn12

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1

The experimentally established mechanism targets of Lactic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A known ✓ Q14432 2/20 0.76
PDE5A O76074 20/20 0.87
PDE1A P54750 8/20 0.87
PDE1B Q01064 8/20 0.87
PDE1C Q14123 8/20 0.87
PDE4B Q07343 3/20 0.87
PDE6A P16499 3/20 0.76
PDE2A O00408 2/20 0.76
PDE6D O43924 2/20 0.76
PDE9A O76083 2/20 0.76
PDE6G P18545 2/20 0.76
PDE4A P27815 2/20 0.76
ADORA1 P30542 2/20 0.76
ADRA1A P35348 2/20 0.76
PDE6B P35913 2/20 0.76
PDE6C P51160 2/20 0.76
PDE4C Q08493 2/20 0.76
PDE4D Q08499 2/20 0.76
KCNH2 Q12809 2/20 0.76
PDE3B Q13370 2/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5537 0.93 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4B
Hydrochloric Acid SCHEMBL974638 0.93 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823559 0.91 PDE5A (0.94) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8256987 0.90 PDE5A (0.82) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12824080 0.88 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823772 0.88 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974583 0.88 PDE5A (0.89) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL14752434 0.88 PDE5A (0.87) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974895 0.88 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL24418486 0.88 PDE5A (0.90) PDE5APDE1APDE1BPDE1CPDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7696206-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
US-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-21 US disclosed
US-20090221570-A1 Uses of 2-Phenyl-Substituted Imidazotriazinone Derivatives for Treating Pulmonary Hypertension BAYER HELTHCARE AG (DE) 2009-09-03 US disclosed
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
US-20080085897-A1 Use of 2-alkoxyphenyl-substituted imidazotriazinones BAYER HEALTHCARE AG (DE) 2008-04-10 US disclosed
US-7314871-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors, for treatment of hypertension BAYER AKTIENGESELLSCHAFT (DE) 2008-01-01 US disclosed
US-20070299088-A1 Novel Uses of 2-Phenyl-Substituted Imidazotriazinone Derivatives BAYER HEALTHCARE AG (DE) 2007-12-27 US disclosed
US-20060189615-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
US-20050234022-A1 Use of 2-alkoxyphenyl-substituted imidazotriazinones BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
US-6930108-B2 Use of 2-alkoxyphenol-substituted imidazotriazinones BAYER HEALTHCARE AG (DE) 2005-08-16 US disclosed
US-6890922-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-05-10 US disclosed
US-20050070541-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2005-03-31 US disclosed
US-20040235838-A1 Use of 2-alkoxyphenol-substituted imidazotriazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
US-20040152700-A1 Novel use of 2-phenyl-substituted imidazotriazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-08-05 US disclosed
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-08 US disclosed
US-6566360-B1 Administering 2-phenyl-substituted imidazotriazinones having short, unbranched alkyl radicals in the 9-position for therapy of hypertrophy of the prostate, incontinence or female sexual dysfunction in mammals BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6362178-B1 TREATMENT OF CARDIOVASCULAR DIORDERS, CEREBROVASCULAR DISORDERS, UROGENITAL DISORDERS AND ERECTILE DYSFUNCTION BAYER AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE2A, PDE3B PDE3A 1/4885PDE5A 4/4885PDE1A 18/4885
US-20070299088-A1 Novel Uses of 2-Phenyl-Substituted Imidazotriazinone Derivatives PDE5A, PDE2A, PDE3B PDE3A 5/4885PDE5A 1/4885PDE1A 11/4885
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 25/4885
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 25/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 25/4885
US-20050070541-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 25/4885
US-20090221570-A1 Uses of 2-Phenyl-Substituted Imidazotriazinone Derivatives for Treating Pulmonary Hypertension PDE5A, PDE2A, PDE3B PDE3A 4/4885PDE5A 1/4885PDE1A 20/4885
US-20040235838-A1 Use of 2-alkoxyphenol-substituted imidazotriazinones PDE2A, PDE3B, PDE3A PDE3A 3/4885PDE5A 6/4885PDE1A 143/4885
US-20080085897-A1 Use of 2-alkoxyphenyl-substituted imidazotriazinones PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 24/4885
US-20060189615-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 25/4885
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE5A 4/4885PDE1A 25/4885
US-20040152700-A1 Novel use of 2-phenyl-substituted imidazotriazinones PDE7A, PDE4A, PDE5A PDE3A 12/4885PDE5A 3/4885PDE1A 4/4885
US-20050234022-A1 Use of 2-alkoxyphenyl-substituted imidazotriazinones PDE3B, PDE2A, PDE3A PDE3A 3/4885PDE5A 5/4885PDE1A 116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.