Sugi Predict

Sugi Predict / Compounds / SCHEMBL7740926

SCHEMBL7740926

SCHEMBL7740926

CC(=O)N(c1ccccc1)c1ccc(C(=O)NC2CCC(=O)N3CCCC(C(=O)NC(C=O)CC(=O)O)N3C2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 9/20 0.81
▸ IL1B P01584 2/20 0.72
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ LCK P06239 9/20 0.44
▸ GZMB P10144 1/20 0.41

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
SCHEMBL10199480 0.91 CASP1 (0.79) CASP1IL1BMMEACELCK
SCHEMBL10199466 0.90 CASP1 (0.82) CASP1IL1BMMEACELCK
SCHEMBL645750 0.90 CASP1 (1.00) CASP1IL1BMMEACELCK
SCHEMBL8248977 0.90 CASP1 (1.00) CASP1IL1BMMEACELCK
SCHEMBL2218994 0.90 CASP1 (1.00) CASP1IL1BMMEACELCK
SCHEMBL10199526 0.89 CASP1 (0.86) CASP1IL1BMMEACELCK
SCHEMBL10199711 0.89 CASP1 (0.91) CASP1IL1BMMEACELCK
SCHEMBL10200454 0.87 CASP1 (0.87) CASP1IL1BMMEACELCK
SCHEMBL10199785 0.87 CASP1 (0.87) CASP1IL1BMMEACELCK
SCHEMBL10199422 0.87 CASP1 (0.86) CASP1IL1BMMEACELCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 — — US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 — — US disclosed