SCHEMBL21190878

SCHEMBL21190878

CC1(C)OB(c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.48
EP300 Q09472 3/20 0.48
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
MAPK14 Q16539 6/20 0.38
GSK3A P49840 1/20 0.38
CDK9 P50750 1/20 0.38
IRAK1 P51617 1/20 0.38
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK11 Q15759 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
SCN9A Q15858 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
SCHEMBL21190900 0.92 BRD4 (0.41) BRD4EP300BRD2BRD3BRDT
SCHEMBL21191077 0.91 BRD4 (0.49) BRD4EP300BRD2BRD3BRDT
SCHEMBL21191109 0.89 BRD4 (0.40) BRD4EP300BRD2BRD3BRDT
SCHEMBL15069481 0.86 BRD4 (0.48) BRD4EP300MAPK14GSK3ACDK9
SCHEMBL21191120 0.84 PTGS2 (0.47) BRD4MAPK14PTGS2SCN9A
SCHEMBL21191165 0.84 TRPA1 (0.35) BRD4EP300BRD2BRD3BRDT
SCHEMBL21191117 0.83 TRPA1 (0.37) BRD4EP300
SCHEMBL21190861 0.82 BRD4 (0.47) BRD4EP300PTGS2SCN9A
SCHEMBL16650187 0.82 TRPA1 (0.40) MAPK14
SCHEMBL16650965 0.81 BRD4 (0.53) BRD4MAPK14

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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-12 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 BRD4 1/4885EP300 15/4885BRD2 5/4885

“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.