SCHEMBL21190847

SCHEMBL21190847

CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2Nc2ccccc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CSF1R P07333 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 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
SCHEMBL21190848 0.88 BRD4 (0.44) BRD4MAPTPOLBGAACA1
SCHEMBL21190844 0.88 BRD4 (0.44) BRD4MAPTTDP1CA1CA2
SCHEMBL21190852 0.81 GSK3B (0.39) MAPTKDM4ENSD2ALDH1A1POLB
SCHEMBL21190839 0.81 KEAP1 (0.44) BRD4MAPTKDM4EALDH1A1APEX1
SCHEMBL21190843 0.81 BRD4 (0.45) BRD4MAPTALDH1A1POLBGAA
SCHEMBL20157282 0.78 LIPG (0.37) BRD4CA1CA2CA9CA12
SCHEMBL21190845 0.77 BRD4 (0.43) BRD4MAPTKDM4EAPEX1CA1
SCHEMBL21190846 0.77 LPL (0.36) BRD4CA1CA2CA9CA12
SCHEMBL29714934 0.77 NPSR1 (0.41) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL20829056 0.74 LPL (0.43) MAPTKDM4EALDH1A1POLBGAA

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 1/4885MAPT 484/4885KDM4E 1123/4885

“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.