SCHEMBL3783761

SCHEMBL3783761

CC(C)C(COCc1ccccc1)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.70
PPARG P37231 4/20 0.64
CTSS P25774 4/20 0.60
ACE P12821 1/20 0.51
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
PTPN1 P18031 4/20 0.48
CDC25B P30305 4/20 0.48
PTPN2 P17706 3/20 0.48
CDC25A P30304 2/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
PPARD Q03181 2/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
REN P00797 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL5710546 0.91 PPARA (0.61) PPARAPPARGCTSSKLK7KLK5
SCHEMBL6043892 0.91 PPARA (0.61) PPARAPPARGCTSSKLK7KLK5
SCHEMBL6042808 0.91 PPARA (0.61) PPARAPPARGCTSSKLK7KLK5
SCHEMBL8905959 0.89 PPARA (0.59) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5349842 0.89 PPARA (0.59) PPARAPPARGCTSSKLK7KLK5
SCHEMBL8906370 0.89 PPARA (0.59) PPARAPPARGCTSSKLK7KLK5
SCHEMBL1132901 0.87 PPARA (0.90) PPARAPPARGCTSSACEKLK7
SCHEMBL828674 0.87 PPARA (0.90) PPARAPPARGCTSSACEKLK7
SCHEMBL17051 0.87 PPARA (0.90) PPARAPPARGCTSSACEKLK7
SCHEMBL22981235 0.86 PPARA (0.73) PPARAPPARGCTSSACEKLK7

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-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
WO-2007120523-A2 6-(AMINOALKYL)INDAZOLES VITAE PHARMACEUTICALS, INC. (US) 2007-10-25 WO 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 PPARA 1275/4885PPARG 1296/4885CTSS 2208/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C PPARA 3272/4885PPARG 2474/4885CTSS 1144/4885

“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.