SCHEMBL20155140

SCHEMBL20155140

CC1(C)OB(c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.48
BRD4 O60885 13/20 0.47
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
BRDT Q58F21 2/20 0.42
TRIM24 O15164 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
EPAS1 Q99814 1/20 0.42
CREBBP Q92793 1/20 0.42
HSPB1 P04792 1/20 0.41
MAPK14 Q16539 1/20 0.39

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
SCHEMBL16651407 0.88 BRD4 (0.47) PTGS2PTGS1BRD4EPAS1HSPB1
SCHEMBL21191046 0.87 BRD4 (0.45) PTGS2PTGS1BRD4EPAS1HSPB1
SCHEMBL21190879 0.85 BRD4 (0.47) PTGS2PTGS1BRD4EPAS1HSPB1
SCHEMBL21191120 0.84 PTGS2 (0.47) PTGS2PTGS1BRD4HSPB1MAPK14
SCHEMBL15069481 0.84 BRD4 (0.48) PTGS2BRD4HSPB1MAPK14
SCHEMBL16650216 0.83 BRD4 (0.50) PTGS2BRD4BRD2BRD3BRDT
SCHEMBL20268765 0.81 HSPB1 (0.63) PTGS2HSPB1
SCHEMBL16651736 0.81 BRD4 (0.46) PTGS2BRD4BRD2BRD3BRDT
SCHEMBL29533045 0.80 HSPB1 (0.39) PTGS2BRD4HSPB1MAPK14
SCHEMBL15069672 0.80 HSPB1 (0.39) PTGS2BRD4HSPB1MAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3741758-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-11-25 EP disclosed
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
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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 PTGS2 3990/4885PTGS1 2876/4885BRD4 1/4885

“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.