SCHEMBL7653409

SCHEMBL7653409

CC(C)Cc1c(C(=O)N(C2CCCCC2)[C@@H](C)C(=O)NC(CC(=O)O)C(=O)COC(=O)c2c(Cl)cccc2Cl)n(C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.52
CASP6 P55212 14/20 0.52
CASP8 Q14790 14/20 0.52
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.35

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
SCHEMBL7201528 0.86 CASP3 (0.35) CASP3CASP6CASP8MEN1RAB9A
SCHEMBL7203863 0.82 CASP3 (0.48) CASP3CASP6CASP8
SCHEMBL7671265 0.82 CASP3 (0.52) CASP3CASP6CASP8CASP1
SCHEMBL7201585 0.81 MAPT (0.32) CASP3CASP6CASP8MEN1RAB9A
SCHEMBL7678676 0.78 CACNA1B (0.32) RAB9A
SCHEMBL7202668 0.78 CASP3 (0.53) CASP3CASP6CASP8CASP1
SCHEMBL5667678 0.74 CASP3 (0.62) CASP3CASP6CASP8
SCHEMBL311790 0.68 CASP3 (0.62) CASP3CASP6CASP8CASP1
SCHEMBL10044272 0.68 CASP3 (0.62) CASP3CASP6CASP8CASP1
SCHEMBL6505861 0.67 CASP3 (0.65) CASP3CASP6CASP8KMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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

“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.