SCHEMBL335624

SCHEMBL335624

CC(C)(C)c1ccc(C(=O)O)s1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.64
YEATS4 O95619 1/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.48
LIG1 P18858 1/20 0.48
HPGD P15428 3/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13879199 0.88 RAB9A (0.53) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL864408 0.85 DAO (0.62) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL16423090 0.83 DAO (0.71) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL2693481 0.83 LMNA (0.77) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL668380 0.82 HPGD (0.70) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL20912453 0.81 TSHR (0.51) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL12321245 0.81 YEATS4 (0.54) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL10293769 0.81 YEATS4 (0.54) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL3055322 0.81 YEATS4 (0.54) DAOYEATS4RAB9ANPC1RXFP1
SCHEMBL24036186 0.80 DAO (0.56) DAOYEATS4RAB9ANPC1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP claimed
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
EP-2552907-B1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP claimed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US claimed
US-8426404-B2 e.g. 3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-N-[4-(2-methyl-imidazol-1-yl)-3-trifluoromethyl-phenyl]-benzamide; receptor and non-receptor tyrosine kinases and serine/threonine kinases inhibitor; antiproliferative agent; immune and nervous system disorders NOVARTIS AG (CH) 2013-04-23 US claimed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP claimed
CN-1960988-B Compounds and compositions as protein kinase inhibitors IRM LLC 2012-01-25 CN claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US claimed
EP-1981870-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-22 EP claimed
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors IRM LLC (BM) 2008-10-16 US claimed
EP-1899329-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC A Delware Limited Liability Company (BM) 2008-03-19 EP claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US claimed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 WO claimed
CN-1960988-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-05-09 CN claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP claimed
WO-2007005673-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-01-11 WO claimed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 DAO 4115/4885YEATS4 4692/4885RAB9A 4301/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 DAO 1611/4885YEATS4 2047/4885RAB9A 3055/4885
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors BMX, FYN, BRSK2 DAO 3475/4885YEATS4 2022/4885RAB9A 2218/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC DAO 3976/4885YEATS4 1110/4885RAB9A 2503/4885

“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.