SCHEMBL25136274

SCHEMBL25136274

COc1cc(C(=O)O)nc(-c2cncs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ECE1 P42892 3/20 0.37
KMT2A Q03164 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MYC P01106 1/20 0.36
PTGER1 P34995 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
SCHEMBL25136292 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKMT2ASCN2ASCN10A
SCHEMBL25485452 0.77 MYC (0.43) MCL1ALDH1A1CHEK1KDM4EMYC
SCHEMBL746177 0.75 TDP1 (0.55) MCL1ALDH1A1MAPTHPGDRECQL
SCHEMBL25136226 0.73 SCN2A (0.44) MAPTLMNAKMT2ASCN2ASCN10A
SCHEMBL794917 0.73 TDP1 (0.53) MCL1ALDH1A1MAPTHPGDRECQL
SCHEMBL25136105 0.72 CSNK2A2 (0.41) ALDH1A1HPGDCHEK1KMT2AKDM4E
SCHEMBL1111184 0.72 MCL1 (0.64) MCL1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25136438 0.72 ECE1 (0.51) LMNATDP1ECE1KDM4EMYC
SCHEMBL29660341 0.71 MCL1 (0.76) MCL1ALDH1A1MAPTHPGDRECQL
SCHEMBL6742246 0.71 LMNA (0.47) MCL1ALDH1A1MAPTHPGDRECQL

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
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT MCL1 353/4885ALDH1A1 358/4885MAPT 645/4885

“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.