SCHEMBL956744

SCHEMBL956744

CC(C)Cc1ccc(S(=O)(=O)Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
LOX P28300 13/20 0.38
LOXL2 Q9Y4K0 3/20 0.36
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3096712 0.81 CA2 (0.47) ALDH1A1HPGDLOXLOXL2
SCHEMBL3005886 0.79 L3MBTL1 (0.43) ALDH1A1HPGDLOXLOXL2MAOA
SCHEMBL13026629 0.77 LOX (0.50) ALDH1A1HPGDLOXLOXL2MAOA
SCHEMBL1415463 0.76 LOX (0.39) LOXLOXL2MAOA
SCHEMBL710939 0.75 L3MBTL1 (0.36) ALDH1A1HPGDLOXL3MBTL1
SCHEMBL10024837 0.75 HPGD (0.48) ALDH1A1HPGD
SCHEMBL27869690 0.74 APOBEC3A (0.32) LOXL3MBTL1
SCHEMBL6672357 0.73 SMN1; SMN2 (0.40) ALDH1A1HPGDLOXLOXL2
SCHEMBL6958562 0.72 L3MBTL1 (0.35) ALDH1A1L3MBTL1
SCHEMBL7132351 0.72 L3MBTL1 (0.46) ALDH1A1HPGDLOXL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 ALDH1A1 565/4885HPGD 2514/4885LOX 3060/4885

“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.