SCHEMBL4374098

SCHEMBL4374098

NC(=O)c1ccc(Cl)cc1Cl.O=S(=O)(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
FLT1 P17948 6/20 0.45
FLT4 P35916 6/20 0.45
KDR P35968 6/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.43
PKM P14618 2/20 0.40
JAK2 O60674 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL4371552 0.93 ALDH1A1 (0.43) ALDH1A1MAPTGAAFLT1FLT4
SCHEMBL4371954 0.90 ALDH1A1 (0.46) ALDH1A1MAPTGAAFLT1FLT4
SCHEMBL4373446 0.89 ALDH1A1 (0.42) ALDH1A1MAPTGAAFLT1FLT4
SCHEMBL4368106 0.88 ALDH1A1 (0.44) ALDH1A1MAPTGAALMNAHTT
SCHEMBL1206970 0.85 FLT1 (0.45) ALDH1A1MAPTFLT1FLT4KDR
SCHEMBL4370907 0.83 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAHTT
SCHEMBL4367729 0.83 ALDH1A1 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL1207427 0.82 FLT1 (0.44) ALDH1A1MAPTFLT1FLT4KDR
SCHEMBL4372928 0.82 FLT1 (0.43) ALDH1A1MAPTGAAFLT1FLT4
SCHEMBL4368406 0.82 ALDH1A1 (0.46) ALDH1A1MAPTGAAFLT1FLT4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US 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 1180/4885MAPT 4098/4885GAA 3480/4885

“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.