SCHEMBL4380239

SCHEMBL4380239

CC1CCCN(c2ccc(S(=O)(=O)O)cn2)C1.NC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.46
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA4 P22748 9/20 0.46
CA7 P43166 9/20 0.46
CA9 Q16790 9/20 0.46
TRPV1 Q8NER1 2/20 0.46
GAA P10253 1/20 0.41
ADRA1A P35348 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL4378379 0.90 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4379865 0.89 GAA (0.44) CA12CA1CA2CA4CA7
SCHEMBL4373803 0.88 L3MBTL1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4370332 0.88 L3MBTL1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4375673 0.86 CA12 (0.43) CA12CA1CA2CA4CA7
SCHEMBL4378346 0.86 CA12 (0.43) CA12CA1CA2CA4CA7
SCHEMBL4380244 0.86 FLT1 (0.48) CA12CA1CA2CA4CA7
SCHEMBL4370320 0.85 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL4373686 0.84 CA12 (0.44) CA12CA1CA2CA4CA7
SCHEMBL4371409 0.83 CA12 (0.43) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CA12 1030/4885CA1 1442/4885CA2 113/4885

“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.