SCHEMBL4372242

SCHEMBL4372242

NC(=O)c1ccc(F)cc1Br.O=S(=O)(O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.54
MKNK1 Q9BUB5 7/20 0.40
MKNK2 Q9HBH9 7/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
SARM1 Q6SZW1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
SIRT4 Q9Y6E7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL4375635 0.83 NAPRT (0.51) NAPRTMKNK1MKNK2POLBPTGS2
SCHEMBL4372239 0.78 PTGS2 (0.55) PTGS2SLC40A1
SCHEMBL4370907 0.77 ALDH1A1 (0.41) KMT2AL3MBTL1ALDH1A1
SCHEMBL4638742 0.77 DGAT1 (0.55) KMT2AALDH1A1MEN1
SCHEMBL4372870 0.76 ADAMTS4 (0.46) KMT2AALDH1A1MEN1
SCHEMBL4373108 0.75 MKNK1 (0.56) NAPRTMKNK1MKNK2POLBNFE2L2
SCHEMBL4374834 0.74 NAPRT (0.51) NAPRTMKNK1MKNK2KMT2A
Acetamide SCHEMBL28094329 0.74 NAPRT (0.79) NAPRTMKNK1MKNK2POLBPTGS2
SCHEMBL29727824 0.73 NAPRT (1.00) NAPRTPTGS2F7F3SARM1
SCHEMBL65447 0.73 NAPRT (1.00) NAPRTPTGS2F7F3SARM1

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 11 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
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 NAPRT 2752/4885MKNK1 2689/4885MKNK2 3154/4885

“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.