SCHEMBL16658358

SCHEMBL16658358

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LIPG Q9Y5X9 1/20 0.44

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
SCHEMBL20145425 0.91 CA1 (0.52) HTTCA1CA2CA9CYP2C19
SCHEMBL16650820 0.85 HPGD (0.58) HTTCYP2C19CYP3A4KMT2AMEN1
SCHEMBL16679886 0.85 HTT (0.49) HTTCA1CA2CA9CYP2C19
SCHEMBL2355046 0.81 CA2 (0.70) CA1CA2CA9HPGDALDH1A1
SCHEMBL31259610 0.81 HDAC2 (0.56) HTTCA1CA2CA9KMT2A
SCHEMBL30693702 0.79 CA1 (0.70) CA1CA2CA9KDM4EKEAP1
SCHEMBL31414526 0.78 HPGD (0.51) CA1CA2CA9CYP2C19CYP3A4
SCHEMBL2720778 0.78 LIPG (0.45) CA1CA2CA9LIPG
SCHEMBL32678804 0.78 LIPG (0.45) CA1CA2CA9LIPG
SCHEMBL32678806 0.78 LIPG (0.45) CA1CA2CA9LIPG

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 8 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-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 (5 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 HTT 1978/4885CA1 2975/4885CA2 3892/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTT 1978/4885CA1 2975/4885CA2 3892/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HTT 1978/4885CA1 2975/4885CA2 3892/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTT 1978/4885CA1 2975/4885CA2 3892/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTT 1978/4885CA1 2975/4885CA2 3892/4885

“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.