SCHEMBL16660694

SCHEMBL16660694

CCO[SH](=O)=Nc1ncc(Oc2ccc(F)cc2F)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
TRPA1 O75762 4/20 0.36
MAPK14 Q16539 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPK8 P45983 2/20 0.35
HSPB1 P04792 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 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
SCHEMBL16660665 0.78 BRD4 (0.69) BRD4MAPK14MAPK8
SCHEMBL16660668 0.76 BRD4 (0.68) BRD4MAPK14MAPK8
SCHEMBL17703370 0.71 BRD4 (0.59) BRD4
SCHEMBL16660698 0.70 BRD4 (0.62) BRD4TRPA1MAPK14L3MBTL1MAPK8
SCHEMBL21998726 0.70 BRD4 (0.56) BRD4MAPK14MAPK8
SCHEMBL25043087 0.69 TRPA1 (0.43) BRD4TRPA1MAPK14L3MBTL1HSPB1
SCHEMBL21931437 0.63 MAPT (0.44) BRD4TRPA1MAPK14L3MBTL1HSPB1
SCHEMBL10456772 0.63 TRPA1 (0.56) TRPA1HSPB1
SCHEMBL21652833 0.62 EPAS1 (0.47) BRD4TRPA1MAPK14L3MBTL1HSPB1
SCHEMBL14014401 0.61 MAPK14 (0.64) BRD4MAPK14MAPK8

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 7 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-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 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 (4 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 5/4885TRPA1 4826/4885MAPK14 2056/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885TRPA1 4826/4885MAPK14 2056/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885TRPA1 4826/4885MAPK14 2056/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885TRPA1 4826/4885MAPK14 2056/4885

“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.