SCHEMBL4373586

SCHEMBL4373586

C[C@@H]1CN(c2ccc(S(=O)(=O)O)cn2)C[C@H](C)O1.NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
CA12 O43570 8/20 0.40
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA4 P22748 8/20 0.40
CA7 P43166 8/20 0.40
CA9 Q16790 8/20 0.40
KDM4E B2RXH2 1/20 0.40
AOC3 Q16853 1/20 0.39
CCR9 P51686 1/20 0.38
KMT2A Q03164 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4374705 1.00 BTK (0.46) BTKKCNH2ALDH1A1HPGDCA12
SCHEMBL4378346 0.88 CA12 (0.43) BTKKCNH2CA12CA1CA2
SCHEMBL4375673 0.88 CA12 (0.43) BTKKCNH2CA12CA1CA2
SCHEMBL4379844 0.86 KMT2A (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL4379865 0.85 GAA (0.44) BTKKCNH2ALDH1A1HPGDCA12
SCHEMBL4370293 0.85 KMT2A (0.47) ALDH1A1CA12CA1CA2CA4
SCHEMBL4370241 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ECCR9KMT2A
SCHEMBL4371258 0.84 KMT2A (0.49) BTKKCNH2ALDH1A1KDM4ECCR9
SCHEMBL4374702 0.83 FLT1 (0.54)
SCHEMBL4373582 0.83 FLT1 (0.54)

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 6 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
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 BTK 3521/4885KCNH2 2161/4885ALDH1A1 1180/4885

“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.