SCHEMBL21190863

SCHEMBL21190863

CC1(C)OB(c2cc(NS(C)(=O)=O)cnc2Oc2cccnc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CCR2 P41597 1/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 3/20 0.38
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
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PIP4K2A P48426 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
SCHEMBL21190856 0.90 BRD4 (0.45) ALPLLMNABRD4PTGS2PTGS1
SCHEMBL21190841 0.85 BRD4 (0.48) LMNAALDH1A1BRD4FFAR4PTGS2
SCHEMBL21191035 0.81 BRD4 (0.38) ALPLLMNAALDH1A1BRD4CCR2
SCHEMBL21190861 0.79 BRD4 (0.47) ALPLBRD4PTGS2
SCHEMBL21191115 0.74 BRD4 (0.46) ALPLBRD4
SCHEMBL21191029 0.74 BRD4 (0.47) ALPLALDH1A1BRD4PTGS2PTGS1
SCHEMBL21191119 0.73 BRD4 (0.49) ALPLBRD4
SCHEMBL21190871 0.73 CYP1A2 (0.45) ALPLLMNAALDH1A1BRD4PTGS2
SCHEMBL21191048 0.72 BRD4 (0.49) LMNAALDH1A1BRD4PTGS2NAMPT
SCHEMBL21190837 0.71 PGR (0.51) LMNABRD4PTGS2PTGS1PGR

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 ALPL 3663/4885LMNA 2795/4885ALDH1A1 3333/4885

“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.