SCHEMBL4379865

SCHEMBL4379865

CC1CCCN(c2ccc(S(=O)(=O)O)cn2)C1.NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ADRA1A P35348 1/20 0.43
CA12 O43570 8/20 0.43
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA4 P22748 8/20 0.43
CA7 P43166 8/20 0.43
CA9 Q16790 8/20 0.43
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 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
SCHEMBL4371409 0.91 CA12 (0.43) GAAADRA1ACA12CA1CA2
SCHEMBL4370320 0.89 CA12 (0.42) GAAADRA1ACA12CA1CA2
SCHEMBL4380239 0.89 CA12 (0.46) GAAADRA1ACA12CA1CA2
SCHEMBL4379844 0.89 KMT2A (0.46) CA12CA1CA2CA4CA7
SCHEMBL4370293 0.87 KMT2A (0.47) GAACA12CA1CA2CA4
SCHEMBL4371258 0.86 KMT2A (0.49) GAAALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL4374705 0.85 BTK (0.46) CA12CA1CA2CA4CA7
SCHEMBL4373586 0.85 BTK (0.46) CA12CA1CA2CA4CA7
SCHEMBL4379870 0.84 FLT1 (0.51)
SCHEMBL4379291 0.82 KMT2A (0.44) 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 GAA 3480/4885ADRA1A 617/4885CA12 1030/4885

“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.