SCHEMBL4367657

SCHEMBL4367657

NC(=O)c1ccc(C(F)(F)F)cc1F.O=S(=O)(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.45
PARP1 P09874 1/20 0.44
CCR9 P51686 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
ABL1 P00519 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIK3CA P42336 1/20 0.42
CA4 P22748 4/20 0.41
CA7 P43166 4/20 0.41

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
SCHEMBL4371421 0.90 SMN1; SMN2 (0.48) SMN1; SMN2MAPTSTAT3ALDH1A1HSD17B10
SCHEMBL4370141 0.86 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL4371946 0.86 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1HSD17B10CCR9
SCHEMBL4370991 0.85 WDR5 (0.48) SMN1; SMN2MAPTSTAT3ALDH1A1HSD17B10
SCHEMBL4367654 0.84 MAPT (0.52) SMN1; SMN2MAPTSTAT3ALDH1A1HSD17B10
SCHEMBL4373358 0.80 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HSD17B10CCR9ABL1
SCHEMBL4373567 0.80 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1HSD17B10CCR9
SCHEMBL4373417 0.78 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1HSD17B10CCR9
SCHEMBL4370241 0.78 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1HSD17B10CCR9
SCHEMBL2651145 0.77 ALDH1A1 (0.73) SMN1; SMN2MAPTALDH1A1HSD17B10KDM4E

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 SMN1; SMN2 2452/4885MAPT 4098/4885STAT3 474/4885

“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.