SCHEMBL1205903

SCHEMBL1205903

NS(=O)(=S)c1cnccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.44
CA2 P00918 11/20 0.44
CA9 Q16790 11/20 0.44
CA1 P00915 10/20 0.44
CA14 Q9ULX7 8/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2E1 P05181 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C8 P10632 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2A6 P11509 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2C19 P33261 3/20 0.42
TNF P01375 1/20 0.41
CYP17A1 P05093 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL5700446 0.81 PTGS2 (0.51) MAOAMAOBTNFCYP17A1SLC22A12
SCHEMBL28990803 0.74 RPS6KA3 (0.44) CA12CA2CA9CA1CA14
SCHEMBL21692148 0.71 RPS6KA3 (0.59) MAOAMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL8716812 0.71 RPS6KA3 (0.65) MAOAMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL21692174 0.71 RPS6KA3 (0.59) MAOAMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL5700364 0.70 PTGS2 (0.51) MAOAMAOBTNFCYP17A1SLC22A12
SCHEMBL8695072 0.70 CA2 (0.56) CA12CA2CA9CA1CYP1A2
SCHEMBL7465016 0.70 RPS6KA3 (0.54) MAOAMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL3791281 0.70 ALDH1A1 (0.54) MAOAMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL29442129 0.69 LRRK2 (0.49) CA12CA2CA9CA1CA14

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-7939532-B2 Heterocyclyl pyridyl sulfonamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-7879884-B2 6-(2-Chloro-phenyl)-5-methyl-pyridine-3-sulfonic acid 2-chloro-4-fluoro-benzoylamide; potassium salt, used as antiproliferative, anticarcinogenic or antitumor agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100256200-A1 ARYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 US disclosed
EP-2148861-A1 ARYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US disclosed
EP-2079719-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-22 EP disclosed
WO-2008138594-A1 ARYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
EP-1960361-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2008049605-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO disclosed
WO-2007059872-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F. HOFFMNN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 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 (3 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-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent TPMT, BPNT1, SLC6A3 CA12 1030/4885CA2 113/4885CA9 914/4885
US-20100256200-A1 ARYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS ARSA, STS, SULT2A1 CA12 4392/4885CA2 3219/4885CA9 3592/4885
US-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS STS, TPMT, DPYD CA12 3219/4885CA2 1683/4885CA9 2438/4885

“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.