SCHEMBL4379844

SCHEMBL4379844

CC1CCN(c2ccc(S(=O)(=O)O)cn2)CC1.NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
GRM5 P41594 3/20 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 2/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TNF P01375 1/20 0.41
STAT3 P40763 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4370142 0.90 KMT2A (0.45) KMT2AGPR119GRM5CA12CA1
SCHEMBL4379291 0.89 KMT2A (0.44) KMT2AGPR119CA12CA1CA2
SCHEMBL4370293 0.89 KMT2A (0.47) KMT2ACA12CA1CA2CA4
SCHEMBL4374520 0.89 CA12 (0.43) KMT2AGPR119GRM5CA12CA1
SCHEMBL4379865 0.89 GAA (0.44) KMT2ACA12CA1CA2CA4
SCHEMBL4378379 0.88 CA12 (0.46) KMT2AGPR119GRM5CA12CA1
SCHEMBL4371258 0.88 KMT2A (0.49) KMT2AALDH1A1MAPTSMN1; SMN2CCR9
SCHEMBL4373586 0.86 BTK (0.46) KMT2ACA12CA1CA2CA4
SCHEMBL4374705 0.86 BTK (0.46) KMT2ACA12CA1CA2CA4
SCHEMBL4368494 0.86 ALDH1A1 (0.44) KMT2AGPR119CA12CA1CA2

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 KMT2A 959/4885GPR119 3764/4885GRM5 2138/4885

“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.