SCHEMBL9898063

SCHEMBL9898063

CC(C)(F)C(=O)NCc1ccc(Cl)c(N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
NR1H4 Q96RI1 4/20 0.40
PTGES O14684 8/20 0.38
P2RX7 Q99572 5/20 0.37
RIPK1 Q13546 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9898570 0.89 EPHX2 (0.39) EPHX2NR1H4PTGESRIPK1
SCHEMBL9899035 0.88 CA1 (0.42) EPHX2NR1H4PTGESHDAC6
SCHEMBL670974 0.79 IDO1 (0.43) EPHX2NR1H4PTGESHDAC6
SCHEMBL9898267 0.77 EPHX2 (0.40) EPHX2NR1H4PTGESRIPK1HDAC6
SCHEMBL9898822 0.77 EPHX2 (0.37) EPHX2NR1H4PTGESP2RX7
SCHEMBL671339 0.76 DGAT1 (0.40) EPHX2NR1H4PTGESP2RX7
SCHEMBL9944728 0.75 EPHX2 (0.36) EPHX2NR1H4PTGESP2RX7RIPK1
SCHEMBL15827311 0.75 EPHX2 (0.43) EPHX2NR1H4PTGESP2RX7RIPK1
SCHEMBL15827310 0.73 PTGES (0.42) EPHX2NR1H4PTGESHDAC6
SCHEMBL12799942 0.71 EPHX2 (0.39) EPHX2NR1H4PTGESRIPK1HDAC1

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
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES EPHX2 193/4885NR1H4 443/4885PTGES 3/4885

“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.