Sugi Predict

Sugi Predict / Compounds / SCHEMBL4372091

SCHEMBL4372091

SCHEMBL4372091

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CASP1 P29466 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ACLY P53396 1/20 0.36
▸ AVPR2 P30518 1/20 0.36
▸ GPR27 Q9NS67 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL4382198 0.89 DGAT1 (0.39) CASP1ALDH1A1GAAMAPTCA1
SCHEMBL4375642 0.89 PSEN1 (0.38) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4372094 0.81 FLT1 (0.65) FLT1FLT4KDRCES2ALDH1A1
SCHEMBL4368106 0.79 ALDH1A1 (0.44) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4370907 0.79 ALDH1A1 (0.41) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4371954 0.78 ALDH1A1 (0.46) FLT1FLT4KDRCASP1ALDH1A1
SCHEMBL4374098 0.78 ALDH1A1 (0.46) FLT1FLT4KDRCASP1ALDH1A1
SCHEMBL4371552 0.78 ALDH1A1 (0.43) FLT1FLT4KDRALDH1A1GAA
SCHEMBL4372515 0.78 DGAT1 (0.56) FLT1FLT4KDRCASP1ALDH1A1
SCHEMBL4367729 0.77 ALDH1A1 (0.47) ALDH1A1GAAMAPTLMNAHTT

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
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
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 — — US 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.