Sugi Predict

Sugi Predict / Compounds / SCHEMBL8764720

SCHEMBL8764720

SCHEMBL8764720

C[C@H](NC(=O)c1c[nH]c(CCc2ccc(C(F)(F)F)cc2)n1)C(=O)NC(C=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 11/20 0.39
▸ CASP1 P29466 5/20 0.37
▸ CTSA P10619 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ IL1B P01584 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
SCHEMBL949374 1.00 PDE2A (0.39) PDE2ACASP1CTSAZAP70CTSL
SCHEMBL949786 0.89 CASP1 (0.47) CASP1IL1B
SCHEMBL8763131 0.89 CASP1 (0.47) CASP1IL1B
SCHEMBL12946396 0.83 MMP2 (0.40) PDE2ACASP1ZAP70CTSLIL1B
SCHEMBL949375 0.81 PDE2A (0.39) PDE2ACTSA
SCHEMBL8764734 0.81 PDE2A (0.39) PDE2ACTSA
SCHEMBL8762987 0.81 CASP1 (0.43) PDE2ACASP1CTSLIL1B
SCHEMBL27457960 0.81 CASP1 (0.43) PDE2ACASP1CTSLIL1B
SCHEMBL949927 0.81 CASP1 (0.43) PDE2ACASP1CTSLIL1B
SCHEMBL949377 0.80 PDE2A (0.38) PDE2A

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
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 — — EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 — — WO disclosed