SCHEMBL9946982

SCHEMBL9946982

CNc1cc(Cl)c(C(=O)NCC(F)(F)C(F)(F)F)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.38
CFTR P13569 9/20 0.37
PTGES O14684 1/20 0.36
PRKCI P41743 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
EZH2 Q15910 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA3 P07451 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA13 Q8N1Q1 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL9944997 0.88 POLB (0.38) CFTRPRKCIPOLBAPEX1CA12
SCHEMBL9946857 0.76 PTGES (0.39) SPRCFTRPTGESIRAK4
SCHEMBL9946862 0.76 PTGES (0.45) PTGESPOLB
SCHEMBL12495108 0.75 LOXL2 (0.40) POLBAPEX1CA12CA1CA2
SCHEMBL9946610 0.71 PTGES (0.50) PTGES
SCHEMBL23577708 0.70 GAA (0.51) CFTRPRKCIPOLB
SCHEMBL9946619 0.69 PTGES (0.49) PTGES
SCHEMBL3094869 0.68 RAB9A (0.57) CA12CA1CA2CA3CA4
SCHEMBL20051581 0.68 CA2 (0.36) CFTRPTGESCA2NR3C1
SCHEMBL9946813 0.68 PTGES (0.42) CFTRPTGESPRKCI

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 3 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-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 SPR 1713/4885CFTR 1466/4885PTGES 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.