SCHEMBL16865667

SCHEMBL16865667

COc1cc(-c2cc(CS(C)(=O)=O)ccc2Nc2ccc(F)cc2F)cn(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.50
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
GSK3A P49840 1/20 0.41
CDK9 P50750 1/20 0.41
IRAK1 P51617 1/20 0.41

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
SCHEMBL16651189 0.85 BRD4 (0.63) BRD4BRD2BRD3BRDT
SCHEMBL21994217 0.84 BRD4 (0.44) BRD4BRD2BRD3BRDT
SCHEMBL17492644 0.76 BRD4 (0.82) BRD4BRD2BRD3BRDT
SCHEMBL16715341 0.76 BRD4 (0.72) BRD4
SCHEMBL16658225 0.76 BRD4 (0.61) BRD4BRD2BRD3BRDT
SCHEMBL16650177 0.75 BRD4 (0.72) BRD4BRD2BRD3BRDT
SCHEMBL16658227 0.75 BRD4 (0.60) BRD4BRD2BRD3BRDT
SCHEMBL17029237 0.75 BRD4 (0.54) BRD4
SCHEMBL25043130 0.74 BRD4 (0.53) BRD4
SCHEMBL16658222 0.74 BRD4 (0.60) BRD4BRD2BRD3BRDT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 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 (3 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-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885BRD3 1/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885BRD3 1/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885BRD3 1/4885

“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.