SCHEMBL3630765

SCHEMBL3630765

O=S(=O)(O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
ABCC4 O15439 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.52
HTT P42858 1/20 0.52
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
MMP13 P45452 3/20 0.49
MMP12 P39900 3/20 0.49
FFAR1 O14842 1/20 0.48
MMP2 P08253 2/20 0.46
MMP7 P09237 1/20 0.46
MMP14 P50281 1/20 0.46
MMP8 P22894 2/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
CA9 Q16790 3/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL15431437 0.87 CA1 (0.40) TAAR1ABCC4LMNAGAATSHR
Phenylmethanesulfonic Acid SCHEMBL28294303 0.86 CA2 (0.58) LMNAGAATSHRHTTCA1
Phenylmethanesulfonic Acid SCHEMBL30217949 0.86 CA2 (0.58) LMNAGAATSHRHTTCA1
Phenylmethanesulfonic Acid SCHEMBL1749 0.86 CA2 (0.58) LMNAGAATSHRHTTCA1
Phenylmethanesulfonic Acid SCHEMBL127384 0.86 CA2 (0.58) LMNAGAATSHRHTTCA1
SCHEMBL16364908 0.85 HSP90AA1 (0.46) TAAR1ABCC4LMNAGAATSHR
Phenylmethanesulfonic Acid SCHEMBL16034407 0.84 CA2 (0.56) LMNAGAATSHRHTTCA1
Phenylmethanesulfonic Acid SCHEMBL9219268 0.84 CA2 (0.56) LMNAGAATSHRHTTCA1
Phenylmethanesulfonic Acid SCHEMBL21811372 0.84 CA2 (0.56) LMNAGAATSHRHTTCA1
Phenylmethanesulfonic Acid SCHEMBL9806419 0.84 CA2 (0.56) LMNAGAATSHRHTTCA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
EP-2683703-B1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI SA (FR) 2015-05-27 EP disclosed
EP-2683703-B1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI SA (FR) 2015-05-27 EP disclosed
US-8895547-B2 Substituted phenyl-oxathiazine derivatives, method for producing them, drugs containing said compounds and the use thereof SANOFI (FR) 2014-11-25 US disclosed
US-8895547-B2 Substituted phenyl-oxathiazine derivatives, method for producing them, drugs containing said compounds and the use thereof SANOFI (FR) 2014-11-25 US disclosed
EP-2683703-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2014-01-15 EP disclosed
WO-2012120057-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
WO-2012120057-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
EP-2231680-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF Massachusetts Institute of Technology (US) 2010-09-29 EP disclosed
WO-2009076622-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-18 WO disclosed
US-7378374-B2 Thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2008-05-27 US disclosed
CN-1330705-C Flame retardant aromatic poly cabonic ester resin composition and finished products TEIJIN CHEMICAL CO LTD (JP) 2007-08-08 CN disclosed
US-20060007765-A1 Thermal recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2006-01-12 US disclosed
EP-1541370-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2005-06-15 EP disclosed
CN-1408767-A Flame retardant aromatic poly cabonic ester resin composition and finished products TEIJIN CHEMICAL CO LTD (JP) 2003-04-09 CN disclosed
EP-0508424-B1 Method for preparing sulfones SANKO KAIHATSU KAGAKU KENK (JP) 1998-02-04 EP disclosed
US-5248828-A Method for preparing sulfones SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1993-09-28 US disclosed
US-5235084-A METHOD FOR PREPARING SULFONES SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1993-08-10 US disclosed
EP-0508424-A2 Method for preparing sulfones Sanko Kaihatsu Kagaku Kenkyusho (JP) 1992-10-14 EP disclosed