SCHEMBL21190861

SCHEMBL21190861

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.47
SCN9A Q15858 2/20 0.40
PTGS2 P35354 2/20 0.39
ALPL P05186 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
EP300 Q09472 1/20 0.37
CXCR2 P25025 1/20 0.37

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
SCHEMBL16650965 0.90 BRD4 (0.53) BRD4ALPL
SCHEMBL16650216 0.86 BRD4 (0.50) BRD4PTGS2EP300
SCHEMBL21191120 0.85 PTGS2 (0.47) BRD4SCN9APTGS2SLC22A12
SCHEMBL21191159 0.83 TRPA1 (0.37) CXCR2
SCHEMBL21190878 0.82 BRD4 (0.48) BRD4SCN9APTGS2EP300
SCHEMBL21190856 0.82 BRD4 (0.45) BRD4PTGS2ALPL
SCHEMBL21190900 0.81 BRD4 (0.41) BRD4SCN9APTGS2EP300
SCHEMBL21190905 0.80 BRD4 (0.48) BRD4SCN9APTGS2SLC22A12
SCHEMBL16650187 0.80 TRPA1 (0.40)
SCHEMBL21190910 0.80 BRD4 (0.50) BRD4SCN9APTGS2ALPLSLC22A12

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-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

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 1/4885SCN9A 1896/4885PTGS2 3990/4885

“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.