SCHEMBL21190838

SCHEMBL21190838

CC1(C)OB(c2cc(NS(C)(=O)=O)ccc2Oc2ccc(Cl)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
EP300 Q09472 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KIF11 P52732 1/20 0.42
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
PGR P06401 1/20 0.40
PLA2G7 Q13093 1/20 0.39
BRDT Q58F21 1/20 0.38
PPARG P37231 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
SCHEMBL21190882 0.89 BRD4 (0.44) BRD4SLC6A4SLC6A2SLC6A3PGR
SCHEMBL21190837 0.88 PGR (0.51) BRD4EP300PTGS1PTGS2SLC6A4
SCHEMBL14880907 0.82 CA12 (0.43) BRD4PTGS2KCNH2CA12CA1
SCHEMBL21190841 0.81 BRD4 (0.48) BRD4PTGS1PTGS2PGRCA12
SCHEMBL21191131 0.81 MET (0.36) BRD4PTGS1PTGS2SLC6A4KCNH2
SCHEMBL21190941 0.80 BRD4 (0.46) BRD4EP300PTGS2SLC6A4SLC6A2
SCHEMBL21191095 0.80 CA1 (0.37) BRD4EP300SLC6A4SLC6A2SLC6A3
SCHEMBL24631261 0.80 CA12 (0.44) SLC6A4SLC6A2SLC6A3KCNH2PGR
SCHEMBL16650216 0.79 BRD4 (0.50) BRD4EP300PTGS2BRDT
SCHEMBL21190836 0.77 BRD4 (0.48) BRD4PTGS1PTGS2PGRBRDT

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 15/4885PTGS1 2876/4885

“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.