SCHEMBL31714029

SCHEMBL31714029

Cc1nnnn1C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.41
▸ PPARG P37231 8/20 0.41
▸ CTSK P43235 4/20 0.40
▸ ACE P12821 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ CTSS P25774 3/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGA4 P13612 2/20 0.37
▸ ITGB7 P26010 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL10832787 0.86 PPARA (0.40) PPARAPPARGCTSKACEPPARD
SCHEMBL30693749 0.82 PPARA (0.41) PPARAPPARGCTSKACEPPARD
SCHEMBL27349297 0.75 PPARA (0.39) PPARAPPARGCTSKACEPPARD
SCHEMBL27349789 0.75 APAF1 (0.57) PPARAPPARGACEPPARDIDO1
SCHEMBL16561853 0.71 PPARA (0.45) PPARAPPARGCTSKACEPPARD
SCHEMBL27349682 0.71 CTSK (0.39) CTSKCTSSCTSLCTSB
SCHEMBL21315764 0.71 PPARA (0.45) PPARAPPARGCTSKACEPPARD
SCHEMBL27349689 0.71 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL31004972 0.70 AKT1 (0.55) PPARAPPARGCTSKACEPPARD
SCHEMBL15662587 0.70 ACE (0.48) PPARAPPARGCTSKACEPPARD

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-20250333440-A1 Azole Tripeptides as Vasodilators UNIV KANSAS (US) 2025-10-30 — — 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-20250333440-A1 Azole Tripeptides as Vasodilators VIP, TEK, NPR1 PPARA 2358/4885PPARG 2996/4885CTSK 2525/4885

“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.

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