SCHEMBL5481910

SCHEMBL5481910

Cc1cc(CC(=O)O)cc(S(=O)(=O)N2CC(C)N(c3ccc(C(F)(F)F)cn3)C(C)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CXCR3 P49682 5/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39

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
SCHEMBL5748192 0.88 POLB (0.44) HCRTR1HCRTR2HDAC3HDAC4HDAC1
SCHEMBL5776867 0.86 HSD11B1 (0.46) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL5777413 0.86 HSD11B1 (0.46) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL5796493 0.84 KDM4E (0.57) PPARGPPARDPPARACXCR3F13A1
SCHEMBL6346422 0.84 F13A1 (0.41) HCRTR1HCRTR2HDAC3HDAC4HDAC1
SCHEMBL5748912 0.84 F13A1 (0.41) HCRTR1HCRTR2HDAC3HDAC4HDAC1
SCHEMBL5768967 0.81 PPARG (0.41) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL5748340 0.78 HSD11B1 (0.47) HCRTR1HCRTR2PTGDR2KDM4EMEN1
SCHEMBL5770063 0.76 KDM4E (0.60) F13A1TGM2TGM1PTGDR2KDM4E
SCHEMBL6357386 0.75 CXCR3 (0.48) CXCR3F13A1TGM2TGM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
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 (2 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 PPARG 2/4885PPARD 3/4885PPARA 1/4885
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 2/4885

“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.