SCHEMBL21190895

SCHEMBL21190895

CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
CYP19A1 P11511 4/20 0.36
PTGS2 P35354 2/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK2A1 P68400 2/20 0.36
PDE4B Q07343 5/20 0.35
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34

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
SCHEMBL21190867 0.90 BRD4 (0.47) BRD4PDE4BPDE4APDE4CPDE4D
SCHEMBL22647802 0.89 BRD4 (0.36) BRD4SPHK1
SCHEMBL21190902 0.88 BRD4 (0.49) BRD4SPHK1MMP13
SCHEMBL21191045 0.85 CSNK2A1 (0.39) CSNK2A1PDE4BPDE4APDE4CPDE4D
SCHEMBL20443248 0.83 PTGS2 (0.46) BRD4CYP19A1PTGS2MEN1PTGES
SCHEMBL21190849 0.81 BRD4 (0.44) BRD4CYP19A1PTGS2PTGS1PDE4B
SCHEMBL21191141 0.81 BRD4 (0.39) BRD4PDE4BPDE4APDE4CPDE4D
SCHEMBL21190875 0.81 BRD4 (0.49) BRD4PTGS2PDE4BPDE4APDE4C
SCHEMBL21190749 0.80 CYP19A1 (0.46) BRD4CYP19A1PTGS2MEN1PTGES
SCHEMBL16658429 0.79 BRD4 (0.38) BRD4MEN1ALDH1A1MAPTTSHR

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 1/4885CYP19A1 1122/4885PTGS2 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.