SCHEMBL4367654

SCHEMBL4367654

O=C(NS(=O)(=O)c1ccc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
IMPDH2 P12268 1/20 0.45
CCR9 P51686 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MLNR O43193 1/20 0.44
DGAT1 O75907 1/20 0.43
GPR27 Q9NS67 1/20 0.43
IDH2 P48735 1/20 0.42

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
SCHEMBL4371425 0.91 FLT1 (0.56) MAPTSTAT3SMN1; SMN2ALDH1A1GAA
SCHEMBL4371943 0.87 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1GAACCR9
SCHEMBL4370140 0.87 FLT1 (0.54) SMN1; SMN2ALDH1A1GAAKDM4EIMPDH2
SCHEMBL4370988 0.85 WDR5 (0.53) MAPTSTAT3SMN1; SMN2ALDH1A1GAA
SCHEMBL4367657 0.84 SMN1; SMN2 (0.48) MAPTSTAT3SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4373565 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1GAACCR9
SCHEMBL4373351 0.81 ALDH1A1 (0.47) MAPTSTAT3SMN1; SMN2ALDH1A1GAA
SCHEMBL4373413 0.79 GAA (0.55) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL4370239 0.79 ALDH1A1 (0.66) MAPTALDH1A1CCR9FLT1FLT4
SCHEMBL4370271 0.77 FLT1 (0.58) MAPTSMN1; SMN2ALDH1A1GAACCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US 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
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 MAPT 4098/4885STAT3 474/4885SMN1; SMN2 2452/4885

“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.