SCHEMBL1287281

SCHEMBL1287281

O=S(=O)(NCCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.83
ALDH1A1 P00352 4/20 0.82
GAA P10253 2/20 0.82
TP53 P04637 1/20 0.82
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
TAAR1 Q96RJ0 1/20 0.71
HSD17B10 Q99714 1/20 0.71
TBXA2R P21731 3/20 0.71
MAPT P10636 1/20 0.66
POLB P06746 1/20 0.66
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
PPARG P37231 1/20 0.64

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
SCHEMBL9754552 0.91 MEN1 (0.84) PRMT1ALDH1A1GAATP53MEN1
Acetonitrile SCHEMBL27336000 0.91 PRMT1 (0.71) PRMT1ALDH1A1GAATP53MEN1
SCHEMBL1287271 0.90 ALDH1A1 (1.00) PRMT1ALDH1A1GAATP53MEN1
SCHEMBL9131036 0.89 TBXA2R (0.82) PRMT1ALDH1A1GAATP53MEN1
SCHEMBL17372561 0.88 ALDH1A1 (0.79) PRMT1ALDH1A1GAATP53MEN1
SCHEMBL412302 0.88 ALDH1A1 (0.79) PRMT1ALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3517769 0.86 ALDH1A1 (0.77) PRMT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9485046 0.85 MEN1 (0.75) PRMT1ALDH1A1GAATP53MEN1
SCHEMBL9754483 0.85 MEN1 (0.75) PRMT1ALDH1A1GAATP53MEN1
SCHEMBL9329691 0.85 MEN1 (0.75) PRMT1ALDH1A1GAATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809584-B2 N-substituted-N-phenylethylsulfonamides for the identification of biological and pharmacological activity INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2014-08-19 US disclosed
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AMIRA THERAPEUTICS, S.L. (ES) 2012-06-14 US disclosed
US-20120122920-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR DRUG DISCOVERY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122710-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 WO disclosed
US-5681961-A TREATMENT AND/OR PREVENTION OF THROMBOEMBOLIC DISORDERS, ARTERIOSCLEROSIS, METASTASIS. ISCHEMIA, ASTHMA, ALLERGIES DR. KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
CN-1111453-A Aryl sulfonamide derivatives and pharmaceutical compositions containing the same NIPPON KOKAN KK (JP) 1995-11-08 CN disclosed
US-5426119-A Thromboxane antagonists DR. KARL THOMAE GMBH (DE) 1995-06-20 US disclosed
US-5294626-A Thromboxane synthesis inhibitors and anticoagulants DR. KARL THOMAS GMBH (DE) 1994-03-15 US disclosed
WO-1991013868-A1 PHENYLTHIOALKYLCARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-19 WO disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 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-20120122920-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR DRUG DISCOVERY TST, PNMT, PTPRS PRMT1 541/4885ALDH1A1 1565/4885GAA 1983/4885
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY NAT1, TST, PNMT PRMT1 622/4885ALDH1A1 2578/4885GAA 488/4885

“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.