SCHEMBL4824912

SCHEMBL4824912

CC(C)(C)OC(=O)N[C@@H](C[S+]([O-])Cc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.42
CTSK P43235 4/20 0.42
PPARA Q07869 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 2/20 0.40
ACE P12821 1/20 0.39
SCN9A Q15858 1/20 0.38
CTSB P07858 2/20 0.38
PTPN1 P18031 3/20 0.38
BCL2 P10415 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL4825787 0.83 PPARA (0.63) CTSSCTSKPPARAPPARGPPARD
SCHEMBL13897430 0.77 SMN1; SMN2 (0.42) BCL2
SCHEMBL4824419 0.75 PPARA (0.52) PPARAPPARGPPARDACE
SCHEMBL5801451 0.72 PPARA (0.38) CTSSCTSKPPARAPPARGPPARD
SCHEMBL4818651 0.71 PPARA (0.52) PPARAPPARGPPARDACE
SCHEMBL4823530 0.71 PPARA (0.67) PPARAPPARGPPARDACE
SCHEMBL3867975 0.71 NTSR1 (0.42) CTSSCTSKACEPTPN1
SCHEMBL1326276 0.70 CTSS (0.72) CTSSCTSKPPARAPPARGPPARD
SCHEMBL1325182 0.70 CTSS (0.72) CTSSCTSKPPARAPPARGPPARD
SCHEMBL1325181 0.70 CTSS (0.72) CTSSCTSKPPARAPPARGPPARD

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-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO CTSS 3788/4885CTSK 3965/4885PPARA 406/4885

“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.