SCHEMBL4898833

SCHEMBL4898833

CC(C)(C)NC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2C19 P33261 1/20 0.55
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGA4 P13612 1/20 0.51
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
ACE P12821 8/20 0.47
REN P00797 4/20 0.47
F2 P00734 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 1/20 0.47
PEPD P12955 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL3174166 1.00 LMNA (0.55) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL7252378 0.91 LMNA (0.54) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL7680333 0.86 LMNA (0.46) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL7680329 0.84 LMNA (0.44) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL22455535 0.84 F2 (0.49) LMNAHSD17B10CYP2C19F2KDM4E
SCHEMBL7340210 0.83 POLB (0.59) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL3966373 0.81 ITGB3 (0.54) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL18676315 0.81 ITGB3 (0.54) LMNAHSD17B10CYP2C19ITGB3ITGB1
Hydrochloric Acid SCHEMBL7104149 0.80 ITGB3 (0.52) LMNAHSD17B10CYP2C19ITGB3ITGB1
SCHEMBL5134719 0.80 ACE (0.57) LMNAHSD17B10CYP2C19ITGB3ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773624-A1 NOVEL PROCESS FOR THE PREPARATION OF ACYLGUANIDINES AND ACYLTHIOUREAS Boehringer Ingelheim International GmbH (DE) 2014-09-10 EP disclosed
WO-2013064451-A1 NOVEL PROCESS FOR THE PREPARATION OF ACYLGUANIDINES AND ACYLTHIOUREAS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-10 WO disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
US-6506759-B1 Method for treating HIV-related AIDS comprising administering an effective amount of a composition N-heterocyclic moiety containing hydroxyethylamine compounds are effective as retroviral protease inhibitors, and in MONSANTO COMPANY 2003-01-14 US disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 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 (3 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 LMNA 3143/4885HSD17B10 1422/4885CYP2C19 2590/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 LMNA 3071/4885HSD17B10 1436/4885CYP2C19 1691/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 LMNA 3071/4885HSD17B10 1436/4885CYP2C19 1691/4885

“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.