SCHEMBL22647802

SCHEMBL22647802

CC1CCCC(Oc2ccc(CS(C)(=O)=O)cc2B2OC(C)(C)C(C)(C)O2)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
MCHR1 Q99705 1/20 0.35
SPHK1 Q9NYA1 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL21190895 0.89 BRD4 (0.45) BRD4SPHK1
SCHEMBL21190867 0.83 BRD4 (0.47) BRD4
SCHEMBL21190902 0.82 BRD4 (0.49) BRD4SPHK1
SCHEMBL21190849 0.77 BRD4 (0.44) BRD4SPHK1
SCHEMBL16658429 0.75 BRD4 (0.38) BRD4
SCHEMBL21191141 0.74 BRD4 (0.39) BRD4
SCHEMBL21191045 0.74 CSNK2A1 (0.39)
SCHEMBL21190845 0.73 BRD4 (0.43) BRD4SPHK1
SCHEMBL20443248 0.72 PTGS2 (0.46) BRD4
SCHEMBL20157282 0.71 LIPG (0.37) BRD4

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 1 patent. 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

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 1/4885MCHR1 3908/4885SPHK1 1318/4885

“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.