SCHEMBL7378692

SCHEMBL7378692

CCn1c(C(=O)O)cc2cc(F)ccc21

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.65
HSD17B10 Q99714 1/20 0.65
GPR35 Q9HC97 2/20 0.60
CCR2 P41597 10/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.45
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F10 P00742 1/20 0.42
ABCB11 O95342 1/20 0.42
MCL1 Q07820 1/20 0.42
IDO1 P14902 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
Ether SCHEMBL12466642 0.93 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL19056970 0.88 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL12466547 0.88 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL12466324 0.88 GPR35 (0.60) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL12466305 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL1553069 0.83 GPR35 (0.67) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL9613337 0.83 GPR35 (0.62) ALDH1A1KDM4EHPGDGPR35CCR2
SCHEMBL7751603 0.82 NOD2 (0.50) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL8689468 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL21647634 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011332-B Pyrazole compounds as CRTH2 antagonists GB007公司 2020-03-13 CN disclosed
EP-2668181-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-11-05 EP disclosed
US-8759386-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2668181-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
CN-103339125-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
US-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101043-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
EP-1000063-B1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SYNTHELABO (FR) 2002-10-23 EP disclosed
EP-1000063-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO 4,5-$i(b)]-INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-SYNTHELABO (FR) 2000-05-17 EP disclosed
WO-1999006406-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]-INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-SYNTHELABO (FR) 1999-02-11 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-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists HRH2, HRH1, HRH4 ALDH1A1 1810/4885KDM4E 4325/4885HPGD 1140/4885

“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.