SCHEMBL21190841

SCHEMBL21190841

CC1(C)OB(c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.48
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
CYP17A1 P05093 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
NR3C1 P04150 1/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PGR P06401 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL21190837 0.87 PGR (0.51) BRD4PTGS2PTGS1LMNANR3C1
SCHEMBL21190863 0.85 ALPL (0.43) BRD4PTGS2PTGS1ALDH1A1LMNA
SCHEMBL21191048 0.82 BRD4 (0.49) BRD4PTGS2ALDH1A1LMNANAMPT
SCHEMBL21190882 0.81 BRD4 (0.44) BRD4PGR
SCHEMBL21190838 0.81 BRD4 (0.44) BRD4PTGS2PTGS1PGRCA12
SCHEMBL21191095 0.78 CA1 (0.37) BRD4CYP17A1ALDH1A1SMN1; SMN2PGR
SCHEMBL21190941 0.78 BRD4 (0.46) BRD4PTGS2PGRCA12CA1
SCHEMBL14880907 0.78 CA12 (0.43) BRD4PTGS2CYP17A1ALDH1A1LMNA
SCHEMBL21191099 0.78 BRD4 (0.54) BRD4PTGS2PTGS1CYP17A1ALDH1A1
SCHEMBL21190836 0.76 BRD4 (0.48) BRD4PTGS2PTGS1LMNAPGR

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 1/4885PTGS2 3990/4885PTGS1 2876/4885

“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.