SCHEMBL4372928

SCHEMBL4372928

Cc1cc(Br)ccc1C(N)=O.O=S(=O)(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 10/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.38
PKM P14618 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
DGAT1 O75907 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL4373446 0.91 ALDH1A1 (0.42) FLT1FLT4KDRALDH1A1LMNA
SCHEMBL4368406 0.91 ALDH1A1 (0.46) FLT1FLT4KDRALDH1A1LMNA
SCHEMBL4371954 0.89 ALDH1A1 (0.46) FLT1FLT4KDRALDH1A1LMNA
SCHEMBL4372515 0.86 DGAT1 (0.56) FLT1FLT4KDRALDH1A1LMNA
SCHEMBL4367729 0.85 ALDH1A1 (0.47) ALDH1A1LMNAHTTMAPTGAA
SCHEMBL4374098 0.82 ALDH1A1 (0.46) FLT1FLT4KDRALDH1A1LMNA
SCHEMBL4371552 0.82 ALDH1A1 (0.43) FLT1FLT4KDRALDH1A1LMNA
SCHEMBL4370907 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTTMAPTGAA
SCHEMBL4368106 0.80 ALDH1A1 (0.44) ALDH1A1LMNAHTTMAPTGAA
SCHEMBL4372925 0.79 FLT1 (0.67) FLT1FLT4KDRALDH1A1HTT

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 9 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
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 FLT1 4752/4885FLT4 4294/4885KDR 4767/4885

“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.