SCHEMBL4368406

SCHEMBL4368406

Cc1ccc(C(N)=O)c(C)c1.O=S(=O)(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
LMNA P02545 1/20 0.42
HTT P42858 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.38
PKM P14618 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
NNMT P40261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HSD11B1 P28845 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
SCHEMBL4367729 0.92 ALDH1A1 (0.47) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4373446 0.91 ALDH1A1 (0.42) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4372928 0.91 FLT1 (0.43) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4374098 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4371954 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4371552 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4368106 0.80 ALDH1A1 (0.44) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4370907 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4372515 0.79 DGAT1 (0.56) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL4368404 0.79 FLT1 (0.62) ALDH1A1HTTFLT1FLT4KDR

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 ALDH1A1 1180/4885LMNA 4015/4885HTT 2107/4885

“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.