SCHEMBL16509432

SCHEMBL16509432

CCC(C)(C)C=CC(O)C(COP(=O)(O)OC)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 7/20 0.49
▸ PLA2G2A P14555 4/20 0.44
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMPD1 P17405 1/20 0.32

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
SCHEMBL16181580 0.90 PLA2G4A (0.52) PLA2G4APLA2G2ASMPD1
SCHEMBL21132793 0.72 PLA2G2A (0.50) PLA2G4APLA2G2A
SCHEMBL18826517 0.72 PLA2G4A (0.44) PLA2G4APLA2G2ATP53CYP1A2CYP2D6
SCHEMBL16575579 0.69 PLA2G2A (0.70) PLA2G4APLA2G2A
SCHEMBL19928630 0.69 FABP3 (0.41) PLA2G4APLA2G2ATP53CYP1A2CYP2D6
SCHEMBL12313943 0.69 FABP3 (0.41) PLA2G4APLA2G2ATP53CYP1A2CYP2D6
SCHEMBL3765894 0.68 PLA2G4A (0.79) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL21060658 0.68 PLA2G4A (0.79) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL30073256 0.68 PLA2G4A (0.79) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL16085651 0.67 PLA2G4A (0.66) PLA2G4ATP53CYP1A2CYP2D6MAPT

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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 — — 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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP PLA2G4A 2883/4885PLA2G2A 3388/4885TP53 250/4885

“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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