SCHEMBL4366386

SCHEMBL4366386

CC1CCN(c2ccc(S(=O)(=O)O)cn2)CC1.NC(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
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
TRPV1 Q8NER1 1/20 0.43
WDR5 P61964 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPY2R P49146 1/20 0.42
AR P10275 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL4378379 0.90 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4371600 0.89 PKM (0.43) HSD11B1CA12CA1CA2CA4
SCHEMBL4368504 0.89 KMT2A (0.44) HSD11B1CA12CA1CA2CA4
SCHEMBL4372077 0.87 CA12 (0.41) HSD11B1CA12CA1CA2CA4
SCHEMBL4370142 0.87 KMT2A (0.45) CA12CA1CA2CA4CA7
SCHEMBL1883785 0.87 RPS6KB1 (0.43) HSD11B1CA12CA1CA2CA4
SCHEMBL4370991 0.87 WDR5 (0.48) HSD11B1WDR5ALDH1A1MAPTKMT2A
SCHEMBL1883510 0.85 HSD11B1 (0.44) HSD11B1WDR5KDM4EALDH1A1MAPT
SCHEMBL1885490 0.85 LMNA (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL1888251 0.85 KMT2A (0.42) HSD11B1WDR5GPR119ALDH1A1MAPT

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 HSD11B1 1765/4885CA12 1030/4885CA1 1442/4885

“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.