SCHEMBL5746231

SCHEMBL5746231

CC1CN(S(=O)(=O)c2cccc(CC(=O)O)c2)CCN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
PTGDR Q13258 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.43
NAMPT P43490 1/20 0.43
POLB P06746 1/20 0.42
GCKR Q14397 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
LIPE Q05469 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARD Q03181 1/20 0.41
EPHX2 P34913 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
SCHEMBL6351657 1.00 CHRM2 (0.49) CHRM2PTGDRMAPTTP53SMN1; SMN2
SCHEMBL6353294 0.89 MAPT (0.47) CHRM2PTGDRMAPTTP53SMN1; SMN2
SCHEMBL5796164 0.89 MAPT (0.47) CHRM2PTGDRMAPTTP53SMN1; SMN2
SCHEMBL5475523 0.84 HTT (0.51) PTGDRMAPTSMN1; SMN2LIPEMEN1
SCHEMBL6410291 0.84 RECQL (0.45) PTGDRMAPTTP53SMN1; SMN2RECQL
SCHEMBL6410298 0.84 RECQL (0.45) PTGDRMAPTTP53SMN1; SMN2RECQL
SCHEMBL5482062 0.83 PPARD (0.57) CHRM2POLBPTGDR2PPARD
SCHEMBL14431174 0.83 PPARD (0.57) CHRM2POLBPTGDR2PPARD
SCHEMBL5776832 0.82 HSD11B1 (0.51) CHRM2PTGDRPPARD
SCHEMBL5776828 0.82 HSD11B1 (0.51) CHRM2PTGDRPPARD

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 CHRM2 2467/4885PTGDR 371/4885MAPT 4579/4885

“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.