SCHEMBL4373686

SCHEMBL4373686

COC1CCN(c2ccc(S(=O)(=O)O)cn2)CC1.NC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA4 P22748 6/20 0.44
CA7 P43166 6/20 0.44
CA9 Q16790 6/20 0.44
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 2/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
KMT2A Q03164 1/20 0.39
MAPK8 P45983 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK10 P53779 1/20 0.38
CCR9 P51686 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL4379291 0.88 KMT2A (0.44) CA12CA1CA2CA4CA7
SCHEMBL4373803 0.87 L3MBTL1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4370393 0.87 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL4370332 0.86 L3MBTL1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4373689 0.85 FLT1 (0.48) CA12CA1CA2CA4CA7
SCHEMBL4373275 0.85 CA12 (0.44) CA12CA1CA2CA4CA7
SCHEMBL1890723 0.85 MEN1 (0.49) CA12CA1CA2CA4CA7
SCHEMBL4380239 0.84 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4378346 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 4 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
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.