SCHEMBL3501195

SCHEMBL3501195

C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 1/20 0.44
▸ CPA2 P48052 1/20 0.44
▸ CPA4 Q9UI42 1/20 0.44
▸ GLP1R P43220 12/20 0.43
▸ SCTR P47872 1/20 0.43
▸ CCKBR P32239 1/20 0.41
▸ APLNR P35414 1/20 0.41
▸ PRKAR2A P13861 5/20 0.41
▸ PRKAR2B P31323 5/20 0.41
▸ GCGR P47871 1/20 0.40

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
SCHEMBL18752938 0.87 LTA4H (0.40) CCKBR
SCHEMBL16386142 0.85 CCKBR (0.44) GLP1RSCTRCCKBRAPLNR
SCHEMBL13315238 0.85 CCKBR (0.44) GLP1RSCTRCCKBRAPLNR
SCHEMBL16386135 0.85 GRPR (0.45) GLP1RSCTRCCKBRAPLNR
SCHEMBL13315208 0.83 CCKBR (0.42) GLP1RSCTRCCKBRAPLNR
SCHEMBL18286725 0.82 BACE1 (0.46) —
SCHEMBL30974282 0.81 OPRD1 (0.46) GLP1RSCTRCCKBR
SCHEMBL30974011 0.81 OPRD1 (0.49) CCKBR
SCHEMBL13315229 0.81 PSMB5 (0.47) GLP1RCCKBRAPLNR
SCHEMBL19387823 0.81 PSMB5 (0.47) GLP1RCCKBRAPLNR

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-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 — — 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-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS TPX2, VIP, BAX CPA1 2037/4885CPA2 2983/4885CPA4 1663/4885

“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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