SCHEMBL9282753

SCHEMBL9282753

CC(C)(C)OC(=O)Nc1c(F)ccc(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ATR Q13535 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ AR P10275 1/20 0.37
▸ RORC P51449 6/20 0.37
▸ CYP17A1 P05093 2/20 0.36
▸ SYK P43405 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL3126895 0.86 ATR (0.43) LMNAPOLBATRRXFP1CYP17A1
SCHEMBL16330268 0.86 LMNA (0.44) LMNAPOLBATRRXFP1AR
SCHEMBL439559 0.86 LMNA (0.44) LMNAPOLBATRRXFP1HTT
SCHEMBL24663923 0.82 ATR (0.44) LMNAPOLBATRCYP17A1SYK
SCHEMBL19233245 0.81 ATR (0.40) LMNAPOLBATRCYP17A1SYK
SCHEMBL6523050 0.81 ATR (0.40) LMNAPOLBATRCYP17A1SYK
SCHEMBL19233248 0.79 CYP17A1 (0.40) LMNAPOLBATRRXFP1CYP17A1
SCHEMBL29274467 0.79 ATR (0.42) LMNAPOLBATRRXFP1CYP17A1
SCHEMBL29948386 0.79 ATR (0.42) LMNAPOLBATRRXFP1CYP17A1
SCHEMBL31500450 0.78 ATR (0.43) LMNAPOLBATRCYP17A1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 — — EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 — — 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A LMNA 1691/4885POLB 4156/4885ATR 2787/4885

“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.

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