SCHEMBL7201585

SCHEMBL7201585

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
CCR5 P51681 2/20 0.32
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
EDNRA P25101 2/20 0.30
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
EDNRB P24530 1/20 0.30
CASP3 P42574 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7653409 0.81 CASP3 (0.52) MEN1KMT2ARAB9ACASP3CASP6
SCHEMBL7201321 0.80 PSMB5 (0.40) MEN1GFERKMT2A
SCHEMBL7564924 0.78 KDM4E (0.36) CCR5SLC6A9KDM4E
SCHEMBL7201528 0.77 CASP3 (0.35) MAPTMEN1GFERKMT2ANPC1
SCHEMBL7678676 0.72 CACNA1B (0.32) NPC1RAB9AGAAPPARGNCOA2
SCHEMBL7866343 0.72 L3MBTL1 (0.39) MAPTMEN1GFERKMT2ANPC1
SCHEMBL7203863 0.71 CASP3 (0.48) CASP3CASP6CASP8
SCHEMBL7202668 0.68 CASP3 (0.53) KDM4ECASP3CASP6CASP8
SCHEMBL7203206 0.62 MEN1 (0.57) MAPTMEN1GFERKMT2AKDM4E
SCHEMBL7671265 0.62 CASP3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 MAPT 196/4885CCR5 768/4885MEN1 2825/4885
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 MAPT 201/4885CCR5 753/4885MEN1 2806/4885

“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.