SCHEMBL508476

SCHEMBL508476

FC(F)(F)c1ccc(OCc2ccc(CCl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.70
HRH3 Q9Y5N1 1/20 0.53
PTPN1 P18031 2/20 0.53
PTPRC P08575 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPRB P23467 1/20 0.53
PTPN6 P29350 1/20 0.53
CDC25A P30304 1/20 0.53
PTPN11 Q06124 1/20 0.53
IDO1 P14902 2/20 0.52
MAOA P21397 2/20 0.51
HMOX1 P09601 1/20 0.51
PTPRZ1 P23471 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL5511955 1.00 MAOB (0.70) MAOBHRH3PTPN1PTPRCPTPN2
SCHEMBL13279971 0.84 MAOB (0.73) MAOBHRH3PTPN1PTPRCPTPN2
SCHEMBL4883457 0.84 MAOB (0.72) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL1451649 0.83 MAPK14 (0.48) MAOBIDO1
SCHEMBL676931 0.82 TAAR1 (0.54) MAOBIDO1
SCHEMBL5512565 0.82 MAOB (0.59) MAOBPTPN1PTPN2PTPRBPTPN6
SCHEMBL23266730 0.82 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL508697 0.82 MAOB (0.70) MAOBHRH3PTPN1PTPRCPTPN2
SCHEMBL21568941 0.82 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL4339843 0.82 MAOB (1.00) MAOBPTPN1PTPRCPTPN2PTPRB

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 MAOB 2197/4885HRH3 3/4885PTPN1 1875/4885

“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.