SCHEMBL21190856

SCHEMBL21190856

CC1(C)OB(c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
PGR P06401 1/20 0.45
ALPL P05186 1/20 0.45
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GLO1 Q04760 1/20 0.37
LIPE Q05469 5/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL21190863 0.90 ALPL (0.43) BRD4PGRALPLPTGS1PTGS2
SCHEMBL21190861 0.82 BRD4 (0.47) BRD4ALPLPTGS2
SCHEMBL21190837 0.81 PGR (0.51) BRD4PGRPTGS1PTGS2HPGD
SCHEMBL21190871 0.80 CYP1A2 (0.45) BRD4ALPLPTGS1PTGS2DRD2
SCHEMBL21191115 0.77 BRD4 (0.46) BRD4ALPLCYP19A1
SCHEMBL21191029 0.76 BRD4 (0.47) BRD4ALPLPTGS1PTGS2SMN1; SMN2
SCHEMBL21191119 0.75 BRD4 (0.49) BRD4ALPL
SCHEMBL21190841 0.75 BRD4 (0.48) BRD4PGRPTGS1PTGS2CA12
SCHEMBL1360468 0.73 TDP1 (0.44) LIPEHPGDMEN1CYP1A2CYP2C9
SCHEMBL21190941 0.72 BRD4 (0.46) BRD4PGRPTGS2CA12CA1

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 1/4885PGR 3492/4885ALPL 3663/4885

“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.