SCHEMBL544207

SCHEMBL544207

O=S(=O)([N]S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.55
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
PLA2G7 Q13093 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL5441568 0.85 ALDH1A1 (0.48) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL3520533 0.80 CA1 (0.55) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL6172350 0.80 HTR6 (0.52) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL7292002 0.78 HTR6 (0.50) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL4628244 0.78 HTR6 (0.50) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL9398028 0.78 TSHR (0.52) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL2687422 0.78 ALDH1A1 (0.52) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL17808674 0.78 HTR6 (0.50) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL6717470 0.78 HTR6 (0.50) HTR6ALDH1A1KDM4ECA1CA2
SCHEMBL2134610 0.78 HTR6 (0.50) HTR6ALDH1A1KDM4ECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US claimed
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 US claimed
US-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2010-09-02 US claimed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US claimed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP claimed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US claimed
EP-1257539-B1 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-12-29 EP claimed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP claimed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO claimed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
US-6531478-B2 For therapy of eating disorder, obesity, bulimia nervosa, diabetes, binge eating, anorexia nervosa, dyslipidimia, hypertension, memory loss, epileptic seizures, migraine, sleep disturbances, pain, sexual/reproductive disorders KORDIK CHERYL P (US) 2003-03-11 US claimed
EP-1257539-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-11-20 EP claimed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 US claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 WO claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US claimed
WO-2023070957-A1 ANTI-REFLECTIVE COATING COMPOSITION AND CROSSLINKABLE POLYMER 嘉庚创新实验室 2023-05-04 WO disclosed
US-5925489-A CONTAINING DIAZONIUM SALT AND PYRROLOPYRIMIDINE COUPLER WHICH REACT WHEN HEATED TO DEVELOP VIOLET TO CYAN COLORS, IMAGE QUALITY AND STABILITY, SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1999-07-20 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R HTR6 254/4885ALDH1A1 3758/4885KDM4E 2084/4885
US-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A HTR6 371/4885ALDH1A1 1358/4885KDM4E 1522/4885
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 HTR6 603/4885ALDH1A1 2223/4885KDM4E 1934/4885
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A HTR6 371/4885ALDH1A1 1358/4885KDM4E 1522/4885

“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.