SCHEMBL508926

SCHEMBL508926

Cc1cc(NC(=O)OC(C)(C)C)ccc1COS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 2/20 0.44
RORC P51449 13/20 0.42
CYP17A1 P05093 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
GAA P10253 1/20 0.39
KAT6A Q92794 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
SCHEMBL6366962 0.84 STAT3 (0.41) CA12CA1CA9ALDH1A1RORC
SCHEMBL509795 0.81 CA12 (0.52) CA12CA1CA9ALDH1A1RORC
SCHEMBL3375330 0.80 CYP17A1 (0.53) CA12CA1CYP17A1
SCHEMBL15316351 0.79 CA12 (0.50) CA12CA1CA9ALDH1A1RORC
SCHEMBL1025076 0.79 SIRT2 (0.48) CA12CA1RORCCYP17A1KAT6A
SCHEMBL30000904 0.77 ATR (0.44) CA12CA1CA9ALDH1A1CYP17A1
SCHEMBL31263553 0.76 CA12 (0.50) CA12CA1CA9ALDH1A1RORC
SCHEMBL13197992 0.76 CA12 (0.58) CA12CA1CA9ALDH1A1CYP17A1
SCHEMBL30031129 0.76 CA12 (0.52) CA12CA1CA9ALDH1A1RORC
SCHEMBL2487493 0.75 LMNA (0.46) CA12CA1ALDH1A1

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
CN-108383789-A Pyrazole compound as CRTH2 antagonists 艾克提麦斯医药品有限公司 2018-08-10 CN disclosed
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
CN-102884051-B Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-16 CN disclosed
CN-104829535-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2015-08-12 CN 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.