SCHEMBL4898437

SCHEMBL4898437

O=[N+]([O-])c1c(C[C@H]2CO2)cccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CTSB P07858 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
TSHR P16473 1/20 0.30
GPR35 Q9HC97 1/20 0.30
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9654903 1.00 PRMT5 (0.40) PRMT5WDR77CTSBALDH1A1TDP1
SCHEMBL6223771 1.00 PRMT5 (0.40) PRMT5WDR77CTSBALDH1A1TDP1
SCHEMBL7608468 0.82 USP2 (0.39) ALDH1A1CA12MEN1KMT2ALMNA
SCHEMBL58850 0.82 MEN1 (0.34) PRMT5WDR77ALDH1A1TDP1MEN1
SCHEMBL3800052 0.79 CTSB (0.46) CTSBALDH1A1TDP1TSHRLMNA
SCHEMBL11065207 0.78 PRMT5 (0.40) PRMT5WDR77ALDH1A1TDP1CA12
SCHEMBL336604 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1TDP1MEN1
SCHEMBL981027 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1TDP1MEN1
SCHEMBL1787921 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1TDP1MEN1
SCHEMBL981024 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1TDP1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US disclosed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US disclosed
US-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS CREIGHTON CHRISTOPHER J 2008-03-20 US disclosed
WO-2007137168-A2 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 WO disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO disclosed
WO-2002005804-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 WO disclosed
US-4438107-A Aminoglycosides and use thereof KOWA COMPANY, LTD. (JP) 1984-03-20 US disclosed
EP-0071251-A1 Novel aminoglycosides and use thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-02-09 EP 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 (2 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-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 PRMT5 2759/4885WDR77 2876/4885CTSB 1299/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 PRMT5 2759/4885WDR77 2876/4885CTSB 1299/4885

“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.