SCHEMBL21190837

SCHEMBL21190837

CC1(C)OB(c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
BRD4 O60885 15/20 0.47
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
LMNA P02545 1/20 0.43
MMP1 P03956 1/20 0.43
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL21190882 0.88 BRD4 (0.44) PGRBRD4SLC6A2SLC6A4SLC6A3
SCHEMBL21190838 0.88 BRD4 (0.44) PGRBRD4PTGS1PTGS2SLC6A2
SCHEMBL21190836 0.88 BRD4 (0.48) PGRBRD4PTGS1PTGS2MEN1
SCHEMBL21190841 0.87 BRD4 (0.48) PGRBRD4PTGS1PTGS2LMNA
SCHEMBL21190941 0.86 BRD4 (0.46) PGRBRD4PTGS2MEN1HPGD
SCHEMBL21191095 0.84 CA1 (0.37) PGRBRD4SLC6A2SLC6A4SLC6A3
SCHEMBL14880907 0.84 CA12 (0.43) BRD4PTGS2KDM4EMEN1LMNA
SCHEMBL21190754 0.81 PTGS2 (0.46) BRD4PTGS1PTGS2KDM4EMEN1
SCHEMBL21190856 0.81 BRD4 (0.45) PGRBRD4PTGS1PTGS2KDM4E
SCHEMBL16650216 0.81 BRD4 (0.50) BRD4PTGS2EP300BRD2BRD3

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 PGR 3492/4885BRD4 1/4885PTGS1 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.