SCHEMBL21190848

SCHEMBL21190848

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
P2RX3 P56373 2/20 0.39
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 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
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
F10 P00742 1/20 0.33
GAA P10253 1/20 0.33
AKR1C3 P42330 1/20 0.32

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
SCHEMBL21190844 0.89 BRD4 (0.44) BRD4CA1CA2CA9CA12
SCHEMBL21190847 0.88 BRD4 (0.42) BRD4CA1CA2CA9CA12
SCHEMBL20155574 0.79 ALDH1A1 (0.41) CA1CA2CA9CA12CA3
SCHEMBL21190843 0.79 BRD4 (0.45) BRD4CA1CA2CA9PTGS2
SCHEMBL21191131 0.78 MET (0.36) BRD4CA1CA2CA9PTGS1
SCHEMBL2522891 0.76 LPL (0.36) CA1CA2CA9CA12CA3
SCHEMBL20157282 0.76 LIPG (0.37) BRD4CA1CA2CA9CA12
SCHEMBL17492736 0.75 BRD4 (0.50) BRD4P2RX3CA1CA2CA9
SCHEMBL21190846 0.75 LPL (0.36) BRD4CA1CA2CA9CA12
SCHEMBL17492543 0.72 P2RX3 (0.52) BRD4P2RX3CA1CA2CA9

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 1/4885P2RX3 4394/4885CA1 2663/4885

“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.