SCHEMBL6741779

SCHEMBL6741779

CC(Cc1ccccc1)(OS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CES1 P23141 1/20 0.42
MMP1 P03956 4/20 0.39
MMP13 P45452 4/20 0.39
MMP9 P14780 3/20 0.39
TSHR P16473 1/20 0.39
PTPN1 P18031 4/20 0.39
PTPN2 P17706 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
MMP8 P22894 1/20 0.38
CYP3A4 P08684 2/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16754032 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2HIF1ACES1
SCHEMBL7284495 0.84 PPARG (0.54) PPARGPPARASMN1; SMN2HIF1AMMP1
SCHEMBL16753617 0.81 PPARA (0.37) PPARGPPARAALDH1A1CA12
SCHEMBL605141 0.77 PPARG (0.47) PPARGPPARASMN1; SMN2MMP1MMP13
SCHEMBL3272549 0.76 PPARG (0.59) PPARGPPARASMN1; SMN2HIF1ACES1
SCHEMBL3272547 0.76 PPARG (0.59) PPARGPPARASMN1; SMN2HIF1ACES1
Aniline SCHEMBL2334841 0.75 SLC6A2 (0.42) SMN1; SMN2HIF1ACES1TSHRSLC6A2
SCHEMBL17044978 0.75 CES1 (0.39) PPARGPPARASMN1; SMN2HIF1ACES1
SCHEMBL7022118 0.75 PPARG (0.40) PPARGPPARASMN1; SMN2HIF1ACES1
SCHEMBL700953 0.74 ADORA3 (0.33) PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
US-6693190-B1 TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS BRACCO INTERNATIONAL B.V. (NL) 2004-02-17 US disclosed
EP-0670832-B1 HEPATOBILIARY MAGNETIC RESONANCE CONTRAST AGENTS BRACCO INT BV (NL) 2002-06-05 EP disclosed
EP-1184377-A1 Hepatobiliary magnetic resonance contrast agents BRACCO International B.V. (NL) 2002-03-06 EP disclosed
EP-0708761-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO International B.V. (NL) 1996-05-01 EP disclosed
WO-1995031444-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 1995-11-23 WO disclosed
US-5358704-A Hepatobiliary tetraazamacrocyclic magnetic resonance contrast agents BRISTOL-MYERS SQUIBB (US) 1994-10-25 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-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds H1-2, H1-0, H1-3 PPARG 4718/4885PPARA 4590/4885SMN1; SMN2 1401/4885

“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.