SCHEMBL3012283

SCHEMBL3012283

CNC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.50
CTSK P43235 11/20 0.50
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
BMP1 P13497 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7406870 0.88 MMP3 (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL7406872 0.88 MMP3 (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL8747641 0.87 CTSK (0.52) CTSSCTSKCTSLCTSBBMP1
SCHEMBL11166014 0.87 CTSK (0.52) CTSSCTSKCTSLCTSBBMP1
SCHEMBL30797986 0.85 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL13159728 0.85 CTSS (0.46) CTSSCTSKCTSLCTSBCA1
SCHEMBL13627772 0.85 CTSK (0.46) CTSSCTSKCTSLCTSBCA1
SCHEMBL30797870 0.85 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL1486220 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL688341 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049104-B1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2012-09-19 EP disclosed
US-7816395-B2 Pyrrolidinone anilines as progesterone receptor modulators GLAXOSMITHKLINE LLC (US) 2010-10-19 US disclosed
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-08-19 US disclosed
EP-2049104-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021796-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
US-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC 2008-02-14 US disclosed
EP-0527764-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 EP disclosed
WO-1991015507-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 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 (2 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-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 CTSS 4230/4885CTSK 4301/4885CTSL 4194/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 CTSS 4230/4885CTSK 4301/4885CTSL 4194/4885

“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.