SCHEMBL1672227

SCHEMBL1672227

Cc1ccc(CNC(=O)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.48
PTGES O14684 2/20 0.46
EPHX2 P34913 2/20 0.44
HTT P42858 1/20 0.40
APEX1 P27695 1/20 0.40
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 1/20 0.39
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.38
SORT1 Q99523 1/20 0.38
MMP13 P45452 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37

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
SCHEMBL9931393 0.87 PTGES (0.58) NR1H4PTGESEPHX2APEX1CNR2
SCHEMBL14966524 0.84 NR1H4 (0.48) NR1H4EPHX2APEX1CNR2CYP1A2
SCHEMBL1672182 0.82 MRGPRX4 (0.48) NR1H4PTGESEPHX2APEX1CNR2
SCHEMBL30491693 0.82 MRGPRX4 (0.48) NR1H4PTGESEPHX2APEX1CNR2
SCHEMBL30901987 0.78 NR1H4 (0.50) NR1H4PTGESEPHX2SMN1; SMN2
SCHEMBL14979282 0.78 NR1H4 (0.50) NR1H4PTGESEPHX2SMN1; SMN2
SCHEMBL25291678 0.78 MRGPRX4 (0.47) NR1H4PTGESEPHX2APEX1CNR2
SCHEMBL15013037 0.76 SMN1; SMN2 (0.56) NR1H4EPHX2SMN1; SMN2KMT2A
SCHEMBL27699826 0.76 LMNA (0.56) NR1H4EPHX2CYP1A2CYP2C19KMT2A
SCHEMBL16671517 0.75 TSHR (0.47) PTGESCNR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 NR1H4 248/4885PTGES 1/4885EPHX2 127/4885

“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.