SCHEMBL3300798

SCHEMBL3300798

O=S(O)c1ccc(C(F)(F)F)cc1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
EPHX2 P34913 1/20 0.42
KIF11 P52732 4/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
SRD5A2 P31213 1/20 0.41
GSK3B P49841 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
PLAU P00749 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL1827236 0.98 CES2 (0.48) CES2CES1EPHX2KIF11ORAI1
SCHEMBL30097988 0.95 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
SCHEMBL1583590 0.95 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
Water SCHEMBL5129143 0.83 MMP2 (0.40) CES2CES1EPHX2KIF11ALDH1A1
Butylamine SCHEMBL28095649 0.79 TAAR1 (0.40) CES2CES1CYP1A2ALDH1A1
Tetrabuthylammonium SCHEMBL1826223 0.78 MEN1 (0.38) CES2CES1CYP1A2TSHR
SCHEMBL9153089 0.77 CA1 (0.36) ALDH1A1
SCHEMBL6128385 0.74 LMNA (0.48) EPHX2KIF11SRD5A2CYP1A2ALDH1A1
SCHEMBL12706153 0.74 CES2 (0.48) CES2
SCHEMBL11859127 0.74 CA1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
US-20140024649-A1 Substituted Benzamides and Their Uses AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-23 US disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
EP-1668039-B1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2012-12-05 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed
US-7732633-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-06-08 US disclosed
US-20090203904-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY 2009-08-13 US disclosed
US-7541389-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-06-02 US disclosed
US-20070249749-A1 ARYSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS KALGUTKAR RAJDEEP S 2007-10-25 US disclosed
US-7064152-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-20 US disclosed
US-20050070624-A1 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA CES2 9/4885CES1 603/4885EPHX2 1442/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA CES2 9/4885CES1 603/4885EPHX2 1442/4885
US-20090203904-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS TST, ARSA, MPST CES2 117/4885CES1 966/4885EPHX2 1251/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA CES2 9/4885CES1 603/4885EPHX2 1442/4885

“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.