SCHEMBL1751946

SCHEMBL1751946

[CH2]c1ccc(S(=O)(=O)NC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 1/20 0.64
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 2/20 0.61
CA3 P07451 2/20 0.61
CA4 P22748 2/20 0.61
CA6 P23280 2/20 0.61
CA5A P35218 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA13 Q8N1Q1 2/20 0.61
CA14 Q9ULX7 2/20 0.61
CA5B Q9Y2D0 2/20 0.61
LMNA P02545 2/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 2/20 0.57
NR3C2 P08235 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL15575337 0.94 SMN1; SMN2 (0.57) SMN1; SMN2GAACA1CA2CA12
SCHEMBL7629070 0.87 SMN1; SMN2 (0.80) SMN1; SMN2GAACA1CA2CA12
SCHEMBL8080277 0.80 SMN1; SMN2 (0.70) SMN1; SMN2GAACA1CA2CA12
SCHEMBL1804982 0.78 SMN1; SMN2 (0.67) SMN1; SMN2GAACA1CA2CA12
SCHEMBL30960 0.78 GAA (1.00) SMN1; SMN2GAACA1CA2CA12
SCHEMBL620156 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAACA1CA2CA12
SCHEMBL709242 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAACA1CA2CA12
SCHEMBL7020553 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAACA1CA2CA12
SCHEMBL2442745 0.76 CA1 (1.00) SMN1; SMN2GAACA1CA2CA12
SCHEMBL2444494 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998288-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals, Inc. (US) 2016-03-23 EP disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
EP-2081893-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 WO disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
EP-1954669-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals Inc. (US) 2008-08-13 EP disclosed
WO-2008049116-A2 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-04-24 WO disclosed
WO-2007064697-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 WO disclosed
WO-2002026697-A2 AROMATIC DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR, INC. (CA) 2002-04-04 WO disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP 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 (2 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-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GAA 774/4885CA1 3510/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GAA 774/4885CA1 3510/4885

“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.