SCHEMBL117014

SCHEMBL117014

CS(=O)(=O)N(c1cc(Br)cnc1Cl)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALPL P05186 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
EDNRA P25101 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL856141 0.85 PIK3CA (0.41) ALDH1A1NPSR1ALPLHSD17B10LMNA
SCHEMBL1650420 0.83 ALDH1A1 (0.43) ALDH1A1NPSR1ALPLHSD17B10LMNA
SCHEMBL26516539 0.82 HSD17B10 (0.36) HSD17B10MEN1KMT2AHTTNPC1
SCHEMBL116319 0.81 HSD17B10 (0.35) ALDH1A1HSD17B10MEN1KMT2AHTT
SCHEMBL20747600 0.81 ALDH1A1 (0.36) ALDH1A1NPSR1KMT2APIK3CDPIK3CA
SCHEMBL115597 0.78 PTGS1 (0.36) ALDH1A1NPSR1ALPLLMNAHTT
SCHEMBL20747597 0.77 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAPIK3CDPIK3CA
SCHEMBL1118864 0.77 SHMT2 (0.33) HSD17B10MEN1KMT2APIK3CDPIK3CA
SCHEMBL1558035 0.76 CYP3A4 (0.48) ALDH1A1NPSR1ALPLHSD17B10MEN1
SCHEMBL1543607 0.76 CCR5 (0.38) ALDH1A1HSD17B10KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
EP-2303886-A2 PI3K/M TOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
WO-2010008847-A2 PI3K/M TOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO 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-20110178070-A1 PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA ALDH1A1 4277/4885NPSR1 4651/4885ALPL 4339/4885
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ALDH1A1 4256/4885NPSR1 4196/4885ALPL 3547/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD ALDH1A1 4256/4885NPSR1 4196/4885ALPL 3547/4885

“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.