SCHEMBL9946632

SCHEMBL9946632

CN(CC(F)F)c1cc(NC2(C)CC2)c(N)cc1C(=O)NCCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL9945009 0.78 ALDH1A1 (0.34)
SCHEMBL9946863 0.69 PTGES (0.45) CFTRPTGES
SCHEMBL9946813 0.66 PTGES (0.42) CFTRPTGES
SCHEMBL9946621 0.64 PTGES (0.48) PTGES
SCHEMBL9946662 0.63 CFTR (0.38) CFTRPTGES
SCHEMBL22775549 0.61 CFTR (0.48) CFTR
SCHEMBL29431149 0.61 CFTR (0.48) CFTR
SCHEMBL9946827 0.60 PTGES (0.48) PTGES
SCHEMBL9946861 0.60 PTGES (0.48) PTGES
SCHEMBL9947115 0.59 PTGES (0.45) CFTRPTGES

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 CFTR 1466/4885IRAK4 1338/4885PTGES 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.