SCHEMBL4374084

SCHEMBL4374084

NC(=O)c1ccc(F)cc1Cl.O=S(=O)(O)c1ccc(N2CCSCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
CA12 O43570 10/20 0.40
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
CA4 P22748 10/20 0.40
CA7 P43166 10/20 0.40
CA9 Q16790 10/20 0.40
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NPY2R P49146 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
P2RX7 Q99572 1/20 0.37
PYGL P06737 2/20 0.37
GCK P35557 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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) CA12CA1CA2CA4CA7
SCHEMBL4368494 0.90 ALDH1A1 (0.44) CNR2CA12CA1CA2CA4
SCHEMBL4371350 0.90 KMT2A (0.47) CNR2CA12CA1CA2CA4
SCHEMBL4373567 0.88 ALDH1A1 (0.51) CNR2ALDH1A1MAPTGAAHSD17B10
SCHEMBL1887570 0.88 RPS6KB1 (0.45) CA12CA1CA2CA4CA7
SCHEMBL1879254 0.86 KMT2A (0.45) KMT2AALDH1A1L3MBTL1
SCHEMBL1881316 0.86 KDM4E (0.52) KMT2AALDH1A1MAPTP2RX7GAA
SCHEMBL4370142 0.86 KMT2A (0.45) CA12CA1CA2CA4CA7
SCHEMBL4372077 0.86 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL4374080 0.83 FLT1 (0.51) CNR2ALDH1A1MAPTPYGL

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 7 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
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 CNR2 875/4885CA12 1030/4885CA1 1442/4885

“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.