SCHEMBL1365335

SCHEMBL1365335

CC(C)(C)OC(=O)NC(CC#N)CCOCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.60
PPARA Q07869 2/20 0.55
CTSK P43235 11/20 0.54
CTSB P07858 4/20 0.53
CTSL P07711 2/20 0.53
PPARG P37231 1/20 0.50
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL1365337 1.00 CTSS (0.60) CTSSPPARACTSKCTSBCTSL
SCHEMBL15341687 0.86 SYK (0.62) CTSSPPARACTSKCTSBCTSL
SCHEMBL35211707 0.86 PPARA (0.59) CTSSPPARACTSKCTSBCTSL
SCHEMBL1569316 0.86 PPARA (0.59) CTSSPPARACTSKCTSBCTSL
SCHEMBL1363391 0.86 PPARA (0.59) CTSSPPARACTSKCTSBCTSL
SCHEMBL1568593 0.85 PPARA (0.61) CTSSPPARACTSKCTSBCTSL
SCHEMBL9180253 0.83 CTSS (0.66) CTSSCTSKCTSBCTSLATM
SCHEMBL5916336 0.83 CTSS (0.66) CTSSCTSKCTSBCTSLATM
SCHEMBL2012232 0.83 CTSS (0.66) CTSSCTSKCTSBCTSLATM
SCHEMBL6131621 0.83 PPARA (0.56) CTSSPPARACTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618123-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-31 US disclosed
EP-2178882-B1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2013-04-17 EP disclosed
US-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-20110110948-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2011-05-12 US disclosed
EP-1976843-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2008-10-08 EP disclosed
WO-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 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-20110110948-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS BACE1, PSEN1, BACE2 CTSS 93/4885PPARA 1097/4885CTSK 380/4885

“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.