SCHEMBL4378346

SCHEMBL4378346

CC1CN(c2ccc(S(=O)(=O)O)cn2)CC(C)O1.NC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 6/20 0.43
CA7 P43166 6/20 0.43
CA9 Q16790 6/20 0.43
WDR5 P61964 5/20 0.43
TRPV1 Q8NER1 1/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 1/20 0.41
KCNH2 Q12809 1/20 0.41
CLK2 P49760 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HSD11B1 P28845 1/20 0.38
CCR9 P51686 1/20 0.38
MAPK10 P53779 1/20 0.36
AOC3 Q16853 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4375673 1.00 CA12 (0.43) CA12CA1CA2CA4CA7
SCHEMBL4373586 0.88 BTK (0.46) CA12CA1CA2CA4CA7
SCHEMBL4374705 0.88 BTK (0.46) CA12CA1CA2CA4CA7
SCHEMBL4378379 0.88 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4380239 0.86 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4373803 0.86 L3MBTL1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4370332 0.85 L3MBTL1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4378349 0.84 FLT1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL4375671 0.84 FLT1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL4373275 0.84 CA12 (0.44) CA12CA1CA2CA4CA7

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
CN-101300231-B Pyridylsulfonamide derivatives, their manufacture and use as antineoplastic agents HOFFMANN LA ROCHE 2011-11-09 CN claimed
CN-101300231-A Pyridylsulfonamide derivatives, their manufacture and use as antineoplastic agents HOFFMANN LA ROCHE (CH) 2008-11-05 CN claimed
EP-1960361-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP claimed
WO-2007059872-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F. HOFFMNN-LA ROCHE AG (CH) 2007-05-31 WO claimed
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 claimed
CN-101300231-B Pyridylsulfonamide derivatives, their manufacture and use as antineoplastic agents HOFFMANN LA ROCHE 2011-11-09 CN disclosed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US disclosed
US-20090057800-A1 SMALL-SIZE MODULE KABUSHIKI KAISHA TOSHIBA (JP) 2009-03-05 US disclosed
CN-101300231-A Pyridylsulfonamide derivatives, their manufacture and use as antineoplastic agents HOFFMANN LA ROCHE (CH) 2008-11-05 CN 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-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 (1 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 1030/4885CA1 1442/4885CA2 113/4885

“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.