SCHEMBL5746476

SCHEMBL5746476

COC(=O)CCc1cccc(S(=O)(=O)Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
PTPN1 P18031 4/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TBXAS1 P24557 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
IDO1 P14902 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXA2R P21731 1/20 0.40
AKR1C3 P42330 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL19857172 0.89 HDAC6 (0.48) CA12CA9CA7CA14CYP4F2
SCHEMBL4873552 0.87 SIRT2 (0.48) SIRT2PTPN1CA12CA9CA7
SCHEMBL2768397 0.85 CTSG (0.52) CA12CA9CA7CA14CYP4F2
SCHEMBL343527 0.81 IDO1 (0.56) CA12CA9CA7CA14TBXAS1
SCHEMBL23467154 0.80 CA2 (0.45) SIRT2CA12CA9CA7CA14
SCHEMBL2562738 0.79 LPL (0.54) SIRT2PTPN1CA12CA9CA7
SCHEMBL7716761 0.78 SIRT2 (0.51) SIRT2PTPN1CA12CA9CA7
SCHEMBL9545043 0.78 KMT2A (0.54) SIRT2KMT2AALDH1A1
SCHEMBL28851342 0.77 DYRK1A (0.43) CA12CA9KMT2ACA1CA2
SCHEMBL5043619 0.77 CYP19A1 (0.58) CA12CA9CA7CA14TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD SIRT2 308/4885PTPN1 376/4885CA12 4144/4885

“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.