SCHEMBL13145697

SCHEMBL13145697

CC(C)(C)c1cc(NS(C)(=O)=O)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
KIF11 P52732 2/20 0.49
EPHX2 P34913 4/20 0.48
NR1H4 Q96RI1 3/20 0.48
PPARG P37231 1/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
NR3C2 P08235 1/20 0.45
CYP17A1 P05093 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KEAP1 Q14145 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL20365024 0.88 HPGD (0.51) HPGDGAAMAPK1KIF11EPHX2
SCHEMBL15218451 0.86 KDR (0.57) KIF11EPHX2NR1H4MAPTCYP17A1
SCHEMBL16658371 0.85 NR1H4 (0.50) HPGDKIF11EPHX2NR1H4PPARG
SCHEMBL13698101 0.82 CYP17A1 (0.48) HPGDKIF11ALDH1A1SMN1; SMN2MAPT
SCHEMBL9390760 0.81 HPGD (0.58) HPGDGAAMAPK1KIF11EPHX2
SCHEMBL16658365 0.81 KIF11 (0.51) HPGDKIF11EPHX2ALDH1A1SMN1; SMN2
SCHEMBL22060018 0.79 KIF11 (0.57) KIF11ALDH1A1SMN1; SMN2MAPTNR3C2
SCHEMBL13145690 0.78 WDR5 (0.53) HPGDGAAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3790081 0.78 BACE1 (0.52) HPGDGAAMAPK1KIF11ALDH1A1
SCHEMBL16451226 0.78 CYP17A1 (0.57) HPGDGAAMAPK1KIF11ALDH1A1

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 15 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-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 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
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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 (9 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 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 HPGD 2069/4885GAA 4252/4885MAPK1 1580/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HPGD 1266/4885GAA 2844/4885MAPK1 1981/4885

“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.