SCHEMBL9946643

SCHEMBL9946643

CC(C)(O)CNc1cc(N2CCC(C(F)(F)F)CC2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.49
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
ABL1 P00519 4/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9898727 0.88 PTGES (0.49) PTGESMAPTABL1EPHX2LMNA
SCHEMBL9947059 0.88 PTGES (0.46) PTGESMAPTTP53ABL1SCN10A
SCHEMBL9946597 0.82 MAPT (0.48) PTGESMAPTTP53ABL1EPHX2
SCHEMBL9946752 0.81 PTGES (0.46) PTGES
SCHEMBL9945018 0.80 ALDH1A1 (0.42) MAPTLMNA
SCHEMBL9946826 0.79 PTGES (0.51) PTGESMAPTTP53ABL1EPHX2
SCHEMBL9946848 0.78 PTGES (0.49) PTGESMAPTTP53ABL1EPHX2
SCHEMBL9946757 0.78 PTGES (0.49) PTGESMAPTTP53ABL1EPHX2
SCHEMBL9898230 0.78 PTGES (0.48) PTGESMAPTTP53ABL1EPHX2
SCHEMBL9898228 0.78 PTGES (0.48) PTGESMAPTTP53ABL1EPHX2

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 PTGES 3/4885MAPT 4336/4885TP53 3623/4885

“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.