SCHEMBL30948652

SCHEMBL30948652

CC(C)(C)OC(=O)[C@@H](N)CCC(=O)C=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.38
▸ FAAH O00519 1/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL27604438 0.84 CYP1A2 (0.33) LTA4HNOS1NOS3NOS2CYP1A2
SCHEMBL30919265 0.84 DPP4 (0.32) LTA4H
SCHEMBL30919281 0.84 LTA4H (0.36) LTA4H
SCHEMBL28748529 0.83 LTA4H (0.36) LTA4HFAAHCYP1A2CYP2C9CYP2C19
SCHEMBL26940364 0.83 LTA4H (0.36) LTA4HFAAHCYP1A2CYP2C9CYP2C19
SCHEMBL18476646 0.81 FAAH (0.38) FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL18452613 0.81 FAAH (0.38) FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL18452721 0.80 FAAH (0.34) FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL26262639 0.80 FAAH (0.34) FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL29341620 0.80 LTA4H (0.40) LTA4HNOS1NOS3NOS2

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-20240246902-A1 PRODRUGS OF 6-DIAZO-5-OXO-L-NORLEUCINE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-25 — — 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-20240246902-A1 PRODRUGS OF 6-DIAZO-5-OXO-L-NORLEUCINE GLUL, GLS, GLS2 LTA4H 1011/4885FAAH 1065/4885NOS1 307/4885

“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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