SCHEMBL7199035

SCHEMBL7199035

CC(C)[C@H](N)C(=O)NC(CC(=O)O)C(O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.45
CASP6 P55212 19/20 0.45
CASP8 Q14790 19/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL4421626 0.86 CYP2D6 (0.37) CASP3CASP6CASP8CASP7
SCHEMBL627300 0.86 CYP2D6 (0.37) CASP3CASP6CASP8CASP7
SCHEMBL627299 0.86 CYP2D6 (0.37) CASP3CASP6CASP8CASP7
SCHEMBL23268871 0.78 CYP2D6 (0.36) CASP3CASP6CASP8CASP7
SCHEMBL4424248 0.78 CYP2D6 (0.36) CASP3CASP6CASP8CASP7
SCHEMBL3893701 0.77 MAPT (0.39) CASP3CASP6CASP8CASP7
SCHEMBL7202811 0.76 CASP3 (0.54) CASP3CASP6CASP8CASP7
SCHEMBL10074260 0.76 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL5795425 0.74 CASP1 (0.43) CASP3CASP6CASP8
SCHEMBL26623362 0.74 CASP1 (0.43) CASP3CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021800-A2 CASPASE INHIBITORS AS THERAPEUTICS FOR NEURAL AND ORGAN INJURY AND IMAGING BANYAN BIOMARKERS (US) 2012-02-16 WO disclosed
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-06-26 US disclosed
US-6489353-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; CENTRAL NERVOUS SYSTEM DISORDERS IDUN PHARMACEUTICALS, INC. 2002-12-03 US disclosed
US-20020025935-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 EP disclosed
US-6184244-B1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2001-02-06 US disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 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-20020025935-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, CASP1, IAPP CASP3 1/4885CASP6 37/4885CASP8 60/4885
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases CASP3, CASP1, IAPP CASP3 1/4885CASP6 37/4885CASP8 60/4885

“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.