SCHEMBL1671356

SCHEMBL1671356

CC(C)(C(=O)NCc1ccc(Cl)c(C(=O)O)c1F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.38
▸ NR1H4 Q96RI1 3/20 0.38
▸ RIPK1 Q13546 1/20 0.36
▸ PTGES O14684 7/20 0.36
▸ BDKRB1 P46663 3/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 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
SCHEMBL1671550 0.88 EPHX2 (0.39) EPHX2NR1H4RIPK1PTGESDPP4
SCHEMBL1671130 0.88 EPHX2 (0.40) EPHX2NR1H4RIPK1PTGESDPP4
SCHEMBL15167801 0.86 RIPK1 (0.43) EPHX2NR1H4RIPK1BDKRB1DPP4
SCHEMBL15169811 0.85 RIPK1 (0.42) EPHX2NR1H4RIPK1PTGESBDKRB1
SCHEMBL1671579 0.84 PDK1 (0.38) RIPK1PTGESBDKRB1KDM4EALDH1A1
SCHEMBL12799942 0.81 EPHX2 (0.39) EPHX2NR1H4RIPK1PTGESDPP4
SCHEMBL15170275 0.80 IDO1 (0.41) EPHX2NR1H4PTGESKDM4EALDH1A1
SCHEMBL15169717 0.79 PTGES (0.44) PTGES
SCHEMBL15540907 0.76 CA1 (0.39) EPHX2NR1H4RIPK1PTGES
SCHEMBL9898570 0.76 EPHX2 (0.39) EPHX2NR1H4RIPK1PTGESPDK1

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 11 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
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 EPHX2 127/4885NR1H4 248/4885RIPK1 4095/4885

“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.

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