SCHEMBL6382995

SCHEMBL6382995

CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.57
PPARG P37231 5/20 0.57
PPARD Q03181 2/20 0.57
ITGAV P06756 5/20 0.52
ACE P12821 1/20 0.52
CTSS P25774 5/20 0.51
CTSK P43235 5/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
EGLN2 Q96KS0 1/20 0.50
IDO1 P14902 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
SCHEMBL3866896 0.90 PPARA (0.49) PPARAPPARGPPARDITGAVCTSS
SCHEMBL606574 0.90 PPARA (0.60) PPARAPPARGPPARDITGAVACE
SCHEMBL607141 0.90 PPARA (0.60) PPARAPPARGPPARDITGAVACE
SCHEMBL6379577 0.88 CTSS (0.51) PPARAPPARGPPARDCTSSCTSK
SCHEMBL15328079 0.88 PPARA (0.51) PPARAPPARGPPARDACECTSS
SCHEMBL346337 0.84 ALDH1A1 (0.57) PPARAPPARGPPARDCTSK
SCHEMBL6379646 0.84 CTSS (0.53) PPARAPPARGPPARDACECTSS
SCHEMBL8239220 0.84 ALDH1A1 (0.57) PPARAPPARGPPARDCTSK
SCHEMBL9848834 0.83 CTSK (0.52) PPARAPPARGPPARDCTSSCTSK
SCHEMBL8294590 0.82 PPARA (0.51) PPARAPPARGPPARDACECTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 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-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 PPARA 160/4885PPARG 65/4885PPARD 177/4885

“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.