SCHEMBL26590807

SCHEMBL26590807

COCCn1c(C(=O)O)cc2cc(C)cc(S)c21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HASPIN Q8TF76 1/20 0.36
PTGER4 P35408 6/20 0.35
GPR35 Q9HC97 3/20 0.35
MCL1 Q07820 2/20 0.35
CACNA1B Q00975 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26581456 0.86 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL23809284 0.82 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL26581649 0.79 MCL1 (0.38) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL26581694 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL30547789 0.77 MEN1 (0.47) ALDH1A1HPGDKDM4EHSD17B10PTGER4
SCHEMBL26581713 0.76 CCR2 (0.37) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL23809272 0.75 MCL1 (0.35) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL26036900 0.74 MCL1 (0.39) ALDH1A1HPGDKDM4EHSD17B10PTGER4
SCHEMBL15329012 0.74 CCR2 (0.41) ALDH1A1HPGDKDM4EHSD17B10CCNC
SCHEMBL26036899 0.73 KDM4E (0.39) ALDH1A1HPGDKDM4EHSD17B10GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885HPGD 3190/4885KDM4E 1156/4885

“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.