SCHEMBL21190882

SCHEMBL21190882

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.44
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NR3C2 P08235 3/20 0.40
PGR P06401 1/20 0.40
PLA2G7 Q13093 1/20 0.39

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
SCHEMBL21190838 0.89 BRD4 (0.44) BRD4SLC6A4SLC6A2SLC6A3PGR
SCHEMBL21190837 0.88 PGR (0.51) BRD4SLC6A4SLC6A2SLC6A3PGR
SCHEMBL16650216 0.88 BRD4 (0.50) BRD4
SCHEMBL21190941 0.82 BRD4 (0.46) BRD4SLC6A4SLC6A2SLC6A3NR3C2
SCHEMBL14880907 0.82 CA12 (0.43) BRD4
SCHEMBL21190841 0.81 BRD4 (0.48) BRD4PGR
SCHEMBL21190853 0.81 BRD4 (0.45) BRD4SLC6A4
SCHEMBL21190884 0.80 BRD4 (0.44) BRD4SLC6A4SLC6A2SLC6A3PLA2G7
SCHEMBL29814304 0.80 BRD4 (0.44) BRD4SLC6A4SLC6A2SLC6A3PLA2G7
SCHEMBL21191095 0.80 CA1 (0.37) BRD4SLC6A4SLC6A2SLC6A3NR3C2

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 1/4885SLC6A4 3879/4885SLC6A2 3625/4885

“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.