SCHEMBL4373358

SCHEMBL4373358

NC(=O)c1ccc(F)cc1Br.O=S(=O)(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
TDO2 P48775 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK2 O60674 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MLNR O43193 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL4370275 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10SMN1; SMN2GAAJAK2
SCHEMBL4381242 0.88 GAA (0.50) ALDH1A1HSD17B10SMN1; SMN2GAAMEN1
SCHEMBL4373567 0.88 ALDH1A1 (0.51) ALDH1A1HSD17B10SMN1; SMN2TDO2KCNQ3
SCHEMBL4370991 0.86 WDR5 (0.48) ALDH1A1HSD17B10SMN1; SMN2TDO2KCNQ3
SCHEMBL4370141 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10SMN1; SMN2KCNQ3KCNQ2
SCHEMBL4373351 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10SMN1; SMN2TDO2KCNQ3
SCHEMBL4371082 0.82 HSD17B10 (0.49) ALDH1A1HSD17B10SMN1; SMN2GAAMEN1
SCHEMBL4371946 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10SMN1; SMN2KCNQ3KCNQ2
SCHEMBL4367657 0.80 SMN1; SMN2 (0.48) ALDH1A1HSD17B10SMN1; SMN2CA12CA1
SCHEMBL4373417 0.80 SMN1; SMN2 (0.52) ALDH1A1HSD17B10SMN1; SMN2GAAMEN1

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 ALDH1A1 1180/4885HSD17B10 3312/4885SMN1; 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.