SCHEMBL21190849

SCHEMBL21190849

CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2OCC2CC2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.44
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
PDE4B Q07343 2/20 0.34
CYP19A1 P11511 2/20 0.33
RORC P51449 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL20155013 0.90 BRD4 (0.36) BRD4PTGS1PTGS2PDE4BRORC
SCHEMBL1438795 0.84 LPL (0.35) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL16658429 0.84 BRD4 (0.38) BRD4
SCHEMBL16651855 0.84 BRD4 (0.47) BRD4PTGS1PTGS2
SCHEMBL21190895 0.81 BRD4 (0.45) BRD4PTGS1PTGS2SPHK1PDE4B
SCHEMBL21190751 0.81 BRD4 (0.45) BRD4PTGS1PTGS2PDE4BCYP19A1
SCHEMBL21191079 0.81 BRD4 (0.45) BRD4PTGS1PTGS2
SCHEMBL20154965 0.81 HTR2C (0.36)
SCHEMBL15069539 0.81 BRD4 (0.46) BRD4PTGS1PTGS2RORC
SCHEMBL16650154 0.81 BRD4 (0.35) 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 1/4885PTGS1 2876/4885PTGS2 3990/4885

“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.