SCHEMBL21190844

SCHEMBL21190844

CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2Nc2ccc(F)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
MET P08581 4/20 0.36
KDR P35968 4/20 0.36
CXCR2 P25025 3/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH3A1 P30838 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
SCHEMBL21190848 0.89 BRD4 (0.44) BRD4METKDRCA1CA2
SCHEMBL21190847 0.88 BRD4 (0.42) BRD4METKDRCA1CA2
SCHEMBL21190843 0.88 BRD4 (0.45) BRD4METKDRCA1CA2
SCHEMBL21190853 0.78 BRD4 (0.45) BRD4METKDRCA1CA2
SCHEMBL20155173 0.78 BRD4 (0.36) BRD4CXCR2CA1CA2CA9
SCHEMBL9937303 0.76 LPL (0.36) CA1CA2CA9LPLLIPG
SCHEMBL20157558 0.76 CXCR2 (0.37) METKDRCXCR2CA1CA2
SCHEMBL20157282 0.76 LIPG (0.37) BRD4CA1CA2CA9LPL
SCHEMBL17492516 0.75 BRD4 (0.50) BRD4METKDRCA1CA2
SCHEMBL15069481 0.75 BRD4 (0.48) BRD4METKDRPTGS2

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 1/4885MET 4075/4885KDR 4771/4885

“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.