SCHEMBL2856700

SCHEMBL2856700

CNCc1cccc(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.61
CTSK P43235 8/20 0.61
CTSB P07858 3/20 0.61
ACE P12821 2/20 0.60
CTSL P07711 2/20 0.54
PTPN1 P18031 1/20 0.53
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
ITGB3 P05106 3/20 0.52
ITGA2B P08514 2/20 0.52
ITGAV P06756 2/20 0.51
ITGB1 P05556 1/20 0.51
ITGB5 P18084 1/20 0.51
MME P08473 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
SCN9A Q15858 1/20 0.49

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
SCHEMBL2856693 1.00 CTSS (0.61) CTSSCTSKCTSBACECTSL
SCHEMBL2859101 1.00 CTSS (0.61) CTSSCTSKCTSBACECTSL
SCHEMBL3438999 0.89 CTSS (0.59) CTSSCTSKCTSBACECTSL
SCHEMBL6156774 0.89 CTSS (0.56) CTSSCTSKCTSBACECTSL
SCHEMBL3731261 0.87 CTSS (0.73) CTSSCTSKCTSBACECTSL
SCHEMBL3731263 0.87 CTSS (0.73) CTSSCTSKCTSBACECTSL
SCHEMBL31407709 0.87 CTSS (0.73) CTSSCTSKCTSBACECTSL
SCHEMBL1325182 0.86 CTSS (0.72) CTSSCTSKCTSBACECTSL
SCHEMBL1326276 0.86 CTSS (0.72) CTSSCTSKCTSBACECTSL
SCHEMBL1325181 0.86 CTSS (0.72) CTSSCTSKCTSBACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807669-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 US disclosed
EP-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP disclosed
US-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-05 US disclosed
US-7452878-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-18 US disclosed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 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-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD CTSS 1830/4885CTSK 1750/4885CTSB 1450/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD CTSS 1830/4885CTSK 1750/4885CTSB 1450/4885

“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.