SCHEMBL5797656

SCHEMBL5797656

COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)c(CC(=O)O)c2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 7/20 0.43
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCR6 P51684 2/20 0.40
GAA P10253 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6349119 1.00 GCKR (0.43) GCKRALDH1A1KMT2AF13A1TGM2
SCHEMBL5748378 1.00 GCKR (0.43) GCKRALDH1A1KMT2AF13A1TGM2
SCHEMBL27754624 0.92 GCKR (0.45) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL6356889 0.88 CXCR3 (0.48) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL6357386 0.88 CXCR3 (0.48) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5480564 0.88 CXCR3 (0.48) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5747924 0.88 GCKR (0.43) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5747872 0.87 GCKR (0.45) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5795980 0.86 CXCR3 (0.48) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5746828 0.85 SMN1; SMN2 (0.43) ALDH1A1KMT2AF13A1TGM2TGM1

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 GCKR 50/4885ALDH1A1 883/4885KMT2A 2378/4885

“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.