SCHEMBL4375642

SCHEMBL4375642

NC(=O)c1ccc(F)cc1C(F)(F)F.O=S(=O)(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
ALDH1A1 P00352 8/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
MAPK10 P53779 3/20 0.36
HTT P42858 3/20 0.35
JAK2 O60674 1/20 0.35
PKM P14618 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HSD11B1 P28845 2/20 0.34
MAPK8 P45983 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL4372091 0.89 FLT1 (0.43) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4370907 0.88 ALDH1A1 (0.41) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4368106 0.88 ALDH1A1 (0.44) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4382198 0.83 DGAT1 (0.39) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4375641 0.81 FLT1 (0.51) ALDH1A1HTT
SCHEMBL4372515 0.80 DGAT1 (0.56) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4374098 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4371552 0.78 ALDH1A1 (0.43) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4371954 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL1206952 0.77 DHODH (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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
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
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 PSEN1 4400/4885PSEN2 4559/4885APH1B 4576/4885

“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.