SCHEMBL1178005

SCHEMBL1178005

Nc1cccc(CCC(=O)O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.49
PTGER4 P35408 4/20 0.49
PTGER3 P43115 4/20 0.49
PTGER2 P43116 4/20 0.49
PARP1 P09874 1/20 0.43
KEAP1 Q14145 1/20 0.42
FFAR1 O14842 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
GPR17 Q13304 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23077766 0.90 MEN1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL27635346 0.87 IAPP (0.44) PTGER1PTGER4PTGER3PTGER2CTSG
SCHEMBL4699564 0.81 TAAR1 (0.55) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL1000052 0.81 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL89295 0.81 KEAP1 (0.54) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL10955474 0.81 MTNR1A (0.43) TAAR1
SCHEMBL6612012 0.80 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL28142232 0.80 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL6248978 0.80 MMP2 (0.48) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL1178702 0.79 NPSR1 (0.48) PTGER1PTGER4PTGER3PTGER2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
CN-102083803-B Oxocyclic substituted carboxylic acid derivatives and their use BAYER IP GMBH 2015-02-18 CN disclosed
CN-102083803-A Oxocyclic substituted carboxylic acid derivatives and their use BAYER SCHERING PHARMA AG 2011-06-01 CN disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 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 (1 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 PTGER1 631/4885PTGER4 840/4885PTGER3 655/4885

“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.