SCHEMBL7203206

SCHEMBL7203206

CC(C)Cc1c(C(=O)O)n(C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GFER P55789 1/20 0.57
KDM4E B2RXH2 5/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 1/20 0.53
MCL1 Q07820 2/20 0.52
POLB P06746 1/20 0.52
BCL2 P10415 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL2272671 0.83 MEN1 (0.62) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL7828672 0.81 EGFR (0.66) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL28051926 0.80 KDM4E (0.58) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL3306625 0.78 KDM4E (0.59) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL27967619 0.76 KDM4E (0.52) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL9263671 0.75 MCL1 (0.61) MEN1KMT2AKDM4ETSHRMCL1
SCHEMBL29110691 0.74 MEN1 (0.82) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL3306629 0.74 KDM4E (0.56) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL2684951 0.74 KMT2A (0.46) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL1092586 0.74 KDM4E (0.67) MEN1KMT2AKDM4EMAPTTSHR

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 6 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-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 MEN1 2825/4885KMT2A 4013/4885GFER 2026/4885
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 MEN1 2806/4885KMT2A 4023/4885GFER 2088/4885

“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.