SCHEMBL21190836

SCHEMBL21190836

CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.48
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
AR P10275 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PGR P06401 2/20 0.42
BRDT Q58F21 1/20 0.42
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
NR3C2 P08235 1/20 0.38
LY6K Q17RY6 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 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 0.88 PGR (0.51) BRD4GRIN1GRIN2BPTGS1PTGS2
SCHEMBL16650648 0.81 BRD4 (0.50) BRD4BRDT
SCHEMBL21681547 0.78 BRD4 (0.40) BRD4HPGDNR3C2MAPT
SCHEMBL16650483 0.78 BRD4 (0.46) BRD4BRDTLMNAHPGDMAPT
SCHEMBL21190845 0.78 BRD4 (0.43) BRD4PTGS1PTGS2LMNAHPGD
SCHEMBL21190838 0.77 BRD4 (0.44) BRD4PTGS1PTGS2PGRBRDT
SCHEMBL21190882 0.77 BRD4 (0.44) BRD4PGRNR3C2
SCHEMBL21190754 0.77 PTGS2 (0.46) BRD4PTGS1PTGS2LMNAHPGD
SCHEMBL21190841 0.76 BRD4 (0.48) BRD4PTGS1PTGS2PGRLMNA
SCHEMBL21191091 0.75 BRD4 (0.55) BRD4GRIN1GRIN2BARPTGS1

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 1/4885GRIN1 1253/4885GRIN2B 1794/4885

“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.