SCHEMBL7562792

SCHEMBL7562792

CC(C)(C)OC(=O)CN1C(=O)[C@@H](N)CCCC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.36
PLA2G5 P39877 2/20 0.36
ACE P12821 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
FKBP1A P62942 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13383861 0.83 KDM4E (0.39) ACEKDM4EALDH1A1
SCHEMBL3281359 0.81 ACE (0.48) ACE
SCHEMBL7543963 0.81 ACE (0.48) ACE
SCHEMBL10691419 0.75 PLA2G10 (0.43) PLA2G10PLA2G5ACE
SCHEMBL10913716 0.74 PLA2G10 (0.43) PLA2G10PLA2G5ACEALDH1A1
SCHEMBL10895110 0.74 PLA2G10 (0.43) PLA2G10PLA2G5ACEALDH1A1
SCHEMBL10792820 0.74 PLA2G10 (0.38) PLA2G10PLA2G5ACEALDH1A1
SCHEMBL10914477 0.74 PLA2G10 (0.38) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10913722 0.74 PLA2G10 (0.43) PLA2G10PLA2G5ACEALDH1A1
SCHEMBL10914780 0.74 PLA2G10 (0.43) PLA2G10PLA2G5ACEALDH1A1

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-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides KRONENTHAL DAVID R (US) 2002-07-04 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-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides MPST, PTMS, TST PLA2G10 1180/4885PLA2G5 1196/4885ACE 315/4885

“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.