SCHEMBL21190853

SCHEMBL21190853

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.45
SLC6A4 P31645 1/20 0.38
MAPK1 P28482 1/20 0.37
MET P08581 5/20 0.36
KDR P35968 3/20 0.36
HSPB1 P04792 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
EP300 Q09472 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL21191131 0.88 MET (0.36) BRD4SLC6A4METKDRCA1
SCHEMBL21190845 0.88 BRD4 (0.43) BRD4SLC6A4MAPK1METKDR
SCHEMBL15069481 0.87 BRD4 (0.48) BRD4METKDRHSPB1EP300
SCHEMBL16658429 0.81 BRD4 (0.38) BRD4MAPK1LPLLIPGCA1
SCHEMBL21190882 0.81 BRD4 (0.44) BRD4SLC6A4
SCHEMBL21904898 0.80 LPL (0.41) SLC6A4MAPK1HSPB1LPLLIPG
SCHEMBL21191048 0.80 BRD4 (0.49) BRD4PTGS2
SCHEMBL16650154 0.79 BRD4 (0.35) BRD4
SCHEMBL21190844 0.78 BRD4 (0.44) BRD4METKDRLPLLIPG
SCHEMBL21190884 0.78 BRD4 (0.44) BRD4SLC6A4MAPK1HSPB1

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 1/4885SLC6A4 3879/4885MAPK1 421/4885

“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.