SCHEMBL21190875

SCHEMBL21190875

CC1(C)OB(c2cc(CS(C)(=O)=O)cnc2OC2CCCCC2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.49
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
PTGS2 P35354 1/20 0.32
FFAR2 O15552 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL21191042 0.91 BRD4 (0.51) BRD4FFAR2
SCHEMBL21191087 0.89 BRD4 (0.52) BRD4FFAR2
SCHEMBL21190927 0.84 PTGS2 (0.42) BRD4CDK2KDRPTGS2FFAR2
SCHEMBL21191208 0.83 BRD4 (0.33) BRD4
SCHEMBL21191079 0.83 BRD4 (0.45) BRD4PTGS2
SCHEMBL21191199 0.81 GRM5 (0.33) BRD4
SCHEMBL21191029 0.81 BRD4 (0.47) BRD4CDK2KDRPTGS2PDE4A
SCHEMBL21190895 0.81 BRD4 (0.45) BRD4PTGS2PDE4APDE4BPDE4C
SCHEMBL21190924 0.80 BRD4 (0.53) BRD4FFAR2
SCHEMBL21190890 0.79 BRD4 (0.40) BRD4CDK2KDRPTGS2FFAR2

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
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 1/4885CDK2 216/4885KDR 4771/4885

“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.