SCHEMBL21190845

SCHEMBL21190845

CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2Oc2ccccc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
TTR P02766 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MLNR O43193 1/20 0.34
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.34
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 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
SCHEMBL21191131 0.88 MET (0.36) BRD4SMN1; SMN2CA1CA2CA9
SCHEMBL21190853 0.88 BRD4 (0.45) BRD4CA1CA2CA9PTGS2
SCHEMBL21191048 0.87 BRD4 (0.49) BRD4SMN1; SMN2PTGS2LMNACYP19A1
SCHEMBL21190754 0.82 PTGS2 (0.46) BRD4SMN1; SMN2PTGS2KDM4EMEN1
SCHEMBL16658429 0.82 BRD4 (0.38) BRD4SMN1; SMN2CA1CA2CA9
SCHEMBL15069481 0.80 BRD4 (0.48) BRD4PTGS2METKDR
SCHEMBL21190837 0.80 PGR (0.51) BRD4SMN1; SMN2PTGS2KDM4EMEN1
SCHEMBL15328685 0.79 BRD4 (0.40) BRD4SMN1; SMN2TTRMEN1CYP1A2
SCHEMBL20157282 0.79 LIPG (0.37) BRD4CA1CA2CA9
SCHEMBL16650154 0.79 BRD4 (0.35) BRD4SMN1; SMN2KDM4EMEN1CYP1A2

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 1/4885SMN1; SMN2 3474/4885TTR 4065/4885

“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.