SCHEMBL4373567

SCHEMBL4373567

NC(=O)c1ccc(F)cc1Cl.O=S(=O)(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.45
CNR2 P34972 5/20 0.45
CCR9 P51686 1/20 0.45
TDO2 P48775 1/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
BTK Q06187 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 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
SCHEMBL4368487 0.91 KMT2A (0.46) ALDH1A1SMN1; SMN2HSD17B10GAAKDM4E
SCHEMBL1887570 0.90 RPS6KB1 (0.45) SMN1; SMN2RAB9ATP53LMNAMAPT
SCHEMBL4370241 0.90 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HSD17B10RAB9ACNR2
SCHEMBL4371350 0.90 KMT2A (0.47) ALDH1A1SMN1; SMN2HSD17B10CNR2GAA
SCHEMBL1879254 0.88 KMT2A (0.45) ALDH1A1SMN1; SMN2RAB9AKDM4ETHRB
SCHEMBL4373358 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HSD17B10RAB9ACCR9
SCHEMBL4374084 0.88 CNR2 (0.43) ALDH1A1HSD17B10CNR2GAAMAPT
SCHEMBL4370142 0.86 KMT2A (0.45) ALDH1A1TP53MAPT
SCHEMBL1881316 0.86 KDM4E (0.52) ALDH1A1SMN1; SMN2HSD17B10GAAKDM4E
SCHEMBL4370991 0.86 WDR5 (0.48) ALDH1A1SMN1; SMN2HSD17B10RAB9ACCR9

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 1180/4885SMN1; SMN2 2452/4885HSD17B10 3312/4885

“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.