SCHEMBL5776562

SCHEMBL5776562

Cc1cc(CC(=O)O)cc(S(=O)(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 7/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL5750084 0.88 PTGDR (0.48) PTGDRMEN1KMT2AHSD17B10LMNA
SCHEMBL13805002 0.87 ALDH1A1 (0.48) LMNATSHRSMN1; SMN2
SCHEMBL13805215 0.87 GAA (0.54) EPHX1EPHX2
SCHEMBL5796164 0.86 MAPT (0.47) PTGDREPHX1EPHX2LMNASMN1; SMN2
SCHEMBL6353294 0.86 MAPT (0.47) PTGDREPHX1EPHX2LMNASMN1; SMN2
SCHEMBL5475523 0.86 HTT (0.51) PTGDRMEN1KMT2AEPHX2HSD17B10
SCHEMBL13805089 0.86 KMT2A (0.46) MEN1KMT2AEPHX1EPHX2
SCHEMBL5748918 0.86 MEN1 (0.52) MEN1KMT2ANPSR1HSD17B10LMNA
SCHEMBL6353286 0.85 HSD11B1 (0.51) PTGDRHSD11B1
SCHEMBL6353284 0.85 HSD11B1 (0.51) PTGDRHSD11B1

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 PTGDR 371/4885MEN1 4791/4885KMT2A 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.