SCHEMBL16658362

SCHEMBL16658362

CCCS(=O)(=O)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
BRD4 O60885 2/20 0.47
TP53 P04637 2/20 0.46
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
AURKB Q96GD4 1/20 0.46
NR3C2 P08235 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
IKBKB O14920 1/20 0.44
LRRK2 Q5S007 1/20 0.44
UQCRB P14927 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL16658363 0.91 BRD4 (0.49) RORCBRD4AURKAKDRAURKB
SCHEMBL8274370 0.89 NR3C2 (0.57) RORCBRD4NR3C2SMN1; SMN2IKBKB
SCHEMBL22928261 0.80 CYP3A4 (0.48) RORCNR3C2IKBKBLRRK2UQCRB
SCHEMBL10192115 0.79 SMN1; SMN2 (0.55) BRD4TP53AURKAKDRAURKB
SCHEMBL4403147 0.78 NR3C2 (0.54) BRD4NR3C2SMN1; SMN2IKBKBUQCRB
SCHEMBL13935835 0.78 UQCRB (0.49) RORCIKBKBUQCRBCA1CA2
SCHEMBL22928007 0.78 EPHA3 (0.43) RORCNR3C2SMN1; SMN2IKBKBUQCRB
SCHEMBL16868361 0.78 BRD4 (0.49) BRD4TP53AURKAKDRAURKB
SCHEMBL28216263 0.78 HSD17B2 (0.51) BRD4TP53AURKAKDRAURKB
SCHEMBL20098109 0.78 KIT (0.50) BRD4TP53AURKAKDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 US disclosed
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-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 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 (7 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 RORC 1009/4885BRD4 5/4885TP53 102/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 RORC 1009/4885BRD4 5/4885TP53 102/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 RORC 1009/4885BRD4 5/4885TP53 102/4885
US-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 RORC 1009/4885BRD4 5/4885TP53 102/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 RORC 1009/4885BRD4 5/4885TP53 102/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 RORC 1009/4885BRD4 5/4885TP53 102/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 RORC 1009/4885BRD4 5/4885TP53 102/4885

“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.