SCHEMBL21190867

SCHEMBL21190867

CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.47
RORC P51449 1/20 0.37
PDE4D Q08499 6/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
SYK P43405 1/20 0.36
TBK1 Q9UHD2 1/20 0.34
KAT2B Q92831 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MMP13 P45452 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL21191141 0.90 BRD4 (0.39) BRD4RORCPDE4DPDE4APDE4B
SCHEMBL21190895 0.90 BRD4 (0.45) BRD4RORCPDE4DPDE4APDE4B
SCHEMBL21190902 0.87 BRD4 (0.49) BRD4MMP13
SCHEMBL22647802 0.83 BRD4 (0.36) BRD4
SCHEMBL21190880 0.83 TBK1 (0.41) BRD4RORCPDE4DPDE4APDE4B
SCHEMBL21191042 0.81 BRD4 (0.51) BRD4
SCHEMBL21190869 0.80 BRD4 (0.47) BRD4PDE4ASYKTBK1KAT2B
SCHEMBL21190849 0.80 BRD4 (0.44) BRD4RORCPDE4DPDE4APDE4B
SCHEMBL21191020 0.78 BRD4 (0.52) BRD4RORCPDE4DPDE4APDE4B
SCHEMBL16658429 0.78 BRD4 (0.38) 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 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 1/4885RORC 253/4885PDE4D 1731/4885

“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.