SCHEMBL2847835

SCHEMBL2847835

CC(C)(C)OC(=O)N[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
ACE P12821 1/20 0.56
PTPN1 P18031 3/20 0.53
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
KDM4E B2RXH2 1/20 0.52
KDM4A O75164 1/20 0.52
ABCB1 P08183 1/20 0.51
BCL2 P10415 1/20 0.51
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL1932580 1.00 ITGB3 (0.61) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL2853779 1.00 ITGB3 (0.61) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL2856826 0.92 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL18235378 0.92 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL2856829 0.92 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL7442384 0.91 KLK5 (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL864694 0.91 KLK5 (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL1819934 0.91 KLK5 (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL28706872 0.91 REN (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL31448103 0.91 ITGB3 (0.61) ITGB3ITGA2BACEPTPN1CTSS

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 8 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
US-5354892-A Treating cardiovascular disorders; endopeptidase inhibitors; diuretics CIBA-GEIGY CORPORATION (US) 1994-10-11 US disclosed
EP-0555175-A1 Biaryl substituted 4-amino-butyric acid amides CIBA-GEIGY AG (CH) 1993-08-11 EP disclosed
US-5217996-A Endopeptidase inhibitors CIBA-GEIGY CORPORATION (US) 1993-06-08 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 ITGB3 4287/4885ITGA2B 3296/4885ACE 2858/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ITGB3 4287/4885ITGA2B 3296/4885ACE 2858/4885

“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.