SCHEMBL508804

SCHEMBL508804

CCOC(=O)Cc1c(C2CC2)n[nH]c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL14556063 0.79 PDE4D (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL509426 0.78 ALDH1A1 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL28835610 0.69 POLB (0.46) KDM4EALDH1A1HCAR2LMNAGAA
SCHEMBL17479599 0.68 CYP1A2 (0.44) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL14556069 0.67 KDM4E (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL25664507 0.67 GAA (0.57) CA12CA1CA2CA9KDM4E
SCHEMBL1976965 0.67 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL509207 0.66 PDE4D (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL20778134 0.66 MAPK1 (0.46) KDM4EALDH1A1HSD17B10MAPK1LMNA
SCHEMBL24758390 0.66 PDE4D (0.44) KDM4EALDH1A1HSD17B10HPGDMAPK1

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 7 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
CN-102884051-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-01-16 CN 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 4167/4885CA2 2260/4885

“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.