SCHEMBL13585793

SCHEMBL13585793

COCCOCC(=O)NCC[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 2/20 0.43
▸ OTC P00480 1/20 0.43
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ GFPT1 Q06210 1/20 0.35

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
SCHEMBL2509381 1.00 DDAH1 (0.43) DDAH1OTCNOS3NOS1NOS2
SCHEMBL3043120 0.98 DDAH1 (0.43) DDAH1OTCNOS3NOS1NOS2
SCHEMBL19019937 0.90 OTC (0.50) DDAH1OTCNOS3NOS1NOS2
SCHEMBL1951953 0.90 OTC (0.50) DDAH1OTCNOS3NOS1NOS2
SCHEMBL1953200 0.89 OTC (0.49) DDAH1OTCNOS3NOS1NOS2
SCHEMBL30409031 0.89 OTC (0.49) DDAH1OTCNOS3NOS1NOS2
SCHEMBL24788157 0.86 OTC (0.47) DDAH1OTCNOS3NOS1NOS2
SCHEMBL2236422 0.83 DDAH1 (0.50) DDAH1OTCTSHRHPGDCYP1A2
SCHEMBL2236418 0.83 DDAH1 (0.50) DDAH1OTCTSHRHPGDCYP1A2
SCHEMBL24788082 0.81 GLP1R (0.45) DDAH1OTCNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 — — US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 DDAH1 3491/4885OTC 4591/4885NOS3 4757/4885

“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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