SCHEMBL5776077

SCHEMBL5776077

Cc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.45
KDM4E B2RXH2 3/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
DRD4 P21917 5/20 0.42
DRD2 P14416 3/20 0.42
ALDH1A1 P00352 3/20 0.42
DRD3 P35462 2/20 0.42
REV1 Q9UBZ9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 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
SCHEMBL5797718 0.84 GAA (0.57) GFERSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL6351806 0.82 TNF (0.48) THRBSMN1; SMN2LMNAREV1MAPT
SCHEMBL5746151 0.82 L3MBTL1 (0.50) GFERKDM4ESMN1; SMN2LMNAMCOLN3
SCHEMBL5775668 0.82 MAPT (0.53) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5749721 0.81 MAPT (0.53) SMN1; SMN2LMNAMCOLN3ALDH1A1MAPT
SCHEMBL20141002 0.80 MCL1 (0.46) GFERKDM4ESMN1; SMN2LMNAMCOLN3
SCHEMBL5745462 0.80 MAPT (0.59) KDM4ETHRBSMN1; SMN2LMNAMCOLN3
SCHEMBL6349294 0.78 MAPT (0.52) THRBSMN1; SMN2LMNAREV1MAPT
SCHEMBL20140521 0.78 ALDH1A1 (0.44) GFERKDM4ELMNAMCOLN3DRD4
SCHEMBL5746621 0.77 KMT2A (0.65) KDM4ESMN1; SMN2LMNAALDH1A1MAPT

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 GFER 577/4885KDM4E 3692/4885THRB 230/4885

“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.