SCHEMBL16660692

SCHEMBL16660692

Cc1cc(NS(C)(=O)=O)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TNIK Q9UKE5 1/20 0.44
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
ACLY P53396 1/20 0.38
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL15507547 0.84 KEAP1 (0.44) BRD4KEAP1NFE2L2TNIKKDM1A
SCHEMBL1530746 0.83 TNIK (0.41) BRD4KEAP1NFE2L2TNIKKDM1A
SCHEMBL12922621 0.83 KEAP1 (0.41) BRD4KEAP1NFE2L2TNIKKDM1A
SCHEMBL21916048 0.82 KIF11 (0.44) TSHR
SCHEMBL1530172 0.79 TNIK (0.39) BRD4KEAP1NFE2L2TNIKKDM1A
SCHEMBL5277513 0.79 KDM1A (0.41) BRD4KEAP1NFE2L2TNIKKDM1A
SCHEMBL2760281 0.78 KEAP1 (0.46) BRD4KEAP1NFE2L2TNIKKDM1A
SCHEMBL16660700 0.77 BRD4 (0.43) BRD4KDM1AMAOA
Hydrochloric Acid SCHEMBL4625348 0.77 BRD4 (0.40) BRD4TNIKKDM1AMAOAACLY
SCHEMBL16658368 0.76 TRPV1 (0.42) BRD4ACLY

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-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 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 5/4885KEAP1 853/4885NFE2L2 1935/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885KEAP1 853/4885NFE2L2 1935/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885KEAP1 853/4885NFE2L2 1935/4885

“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.