SCHEMBL509152

SCHEMBL509152

Cc1cc(NC(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
CYP1A2 P05177 1/20 0.46
CYP17A1 P05093 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PSMB8 P28062 1/20 0.44
NAMPT P43490 1/20 0.44
RXRB P28702 1/20 0.43
NR1H4 Q96RI1 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL30258184 0.88 CA12 (0.53) CA12CA1CA9CYP1A2CYP17A1
SCHEMBL4969811 0.88 CA12 (0.53) CA12CA1CA9CYP1A2CYP17A1
SCHEMBL16412251 0.88 KDM4E (0.49) CA12CA1CA9CYP17A1KDM4E
SCHEMBL31557881 0.88 CYP17A1 (0.45) CA12CA1CA9CYP17A1POLB
SCHEMBL507957 0.87 CA12 (0.52) CA12CA1CA9CYP17A1KDM4E
SCHEMBL2187189 0.85 KMT2A (0.54) CA12CA1CA9CYP1A2KDM4E
SCHEMBL30338918 0.85 KMT2A (0.54) CA12CA1CA9CYP1A2KDM4E
SCHEMBL10033274 0.84 SMN1; SMN2 (0.50) CYP1A2KDM4EPOLBMAPTKMT2A
SCHEMBL13197992 0.84 CA12 (0.58) CA12CA1CA9CYP1A2CYP17A1
SCHEMBL29053397 0.84 CA12 (0.46) CA12CA1CA9CYP17A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 CA12 4515/4885CA1 4167/4885CA9 3938/4885

“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.