SCHEMBL894613

SCHEMBL894613

O=C(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.82
PFKFB3 Q16875 1/20 0.81
MAPT P10636 1/20 0.70
AKR1C3 P42330 1/20 0.69
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 1/20 0.65
ITGA1 P56199 2/20 0.65
THRB P10828 2/20 0.64
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
IL1RN P18510 1/20 0.61
KEAP1 Q14145 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
HTR6 P50406 1/20 0.61

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
SCHEMBL30209693 0.91 POLB (0.94) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL2888070 0.91 POLB (0.94) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL30702318 0.90 PFKFB3 (0.76) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL4063367 0.90 PFKFB3 (0.76) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL30702319 0.90 PFKFB3 (0.76) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL787677 0.90 PFKFB3 (1.00) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL2241495 0.88 ITGA1 (0.80) POLBPFKFB3MAPTAKR1C3MEN1
SCHEMBL17331335 0.88 POLB (0.78) POLBPFKFB3MAPTMEN1KMT2A
SCHEMBL11025715 0.88 POLB (0.78) POLBPFKFB3MAPTMEN1KMT2A
SCHEMBL10386045 0.87 POLB (0.64) POLBPFKFB3MAPTAKR1C3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 US disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 US disclosed
CN-102395270-B Novel compounds, pharmaceutical compositions containing same, methods of use for same, and methods for preparing same FASGEN INC 2014-11-12 CN disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2012-09-13 US disclosed
CN-101189210-B Sulfonamide derivatives useful as liver carnitine palmitoyl transferase (L-CPTl) inhibitors HOFFMANN LA ROCHE 2012-06-06 CN disclosed
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 US disclosed
EP-0831800-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
EP-0696208-A4 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS EMISPHERE TECH INC (US) 1997-01-29 EP disclosed
WO-1996040100-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0696208-A1 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS Emisphere Technologies, Inc. (US) 1996-02-14 EP disclosed
WO-1994023767-A1 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS EMISPHERE TECHNOLOGIES, INC. (US) 1994-10-27 WO disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4501747-A ANTIHISTAMINES SANOFI (FR) 1985-02-26 US disclosed
US-4439444-A HISTAMINE RECEPTOR ANTAGONISTS SANOFI (FR) 1984-03-27 US disclosed
EP-0103503-A2 N-substituted amides, their salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-03-21 EP disclosed
EP-0094303-A1 Amides, their salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1983-11-16 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 (5 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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA POLB 2683/4885PFKFB3 3497/4885MAPT 42/4885
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 POLB 356/4885PFKFB3 3003/4885MAPT 2835/4885
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 POLB 2805/4885PFKFB3 509/4885MAPT 2667/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 POLB 356/4885PFKFB3 3003/4885MAPT 2835/4885
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 POLB 4026/4885PFKFB3 1114/4885MAPT 2464/4885

“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.