SCHEMBL1672500

SCHEMBL1672500

O=C(O)c1c(Cl)ccc(CNC(=O)C(F)(F)F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
DPP4 P27487 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CDK5 Q00535 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
METAP2 P50579 1/20 0.34
PTGES O14684 2/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1671901 0.87 P2RX7 (0.39) EPHX2NR1H4METAP2
SCHEMBL1671550 0.86 EPHX2 (0.39) EPHX2NR1H4DPP4ALDH1A1KDM4E
SCHEMBL12799942 0.86 EPHX2 (0.39) EPHX2NR1H4DPP4HDAC1HDAC6
SCHEMBL14782970 0.86 EPHX2 (0.40) EPHX2NR1H4DPP4HDAC1HDAC6
SCHEMBL12236690 0.86 EPHX2 (0.38) EPHX2NR1H4HDAC1HDAC6CDK5
SCHEMBL1671164 0.85 EPHX2 (0.42) EPHX2NR1H4DPP4HDAC6ALDH1A1
SCHEMBL15827311 0.82 EPHX2 (0.43) EPHX2NR1H4HDAC1HDAC6CDK5
SCHEMBL10170044 0.78 EPHX2 (0.41) EPHX2NR1H4HDAC1HDAC6CDK5
SCHEMBL15268111 0.78 EPHX2 (0.39) EPHX2NR1H4HDAC1HDAC6CDK5
SCHEMBL16166467 0.77 PDK1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 248/4885DPP4 1180/4885

“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.