SCHEMBL26454899

SCHEMBL26454899

CC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ NMUR1 Q9HB89 5/20 0.57
▸ EPHA2 P29317 2/20 0.56
▸ RAMP3 O60896 1/20 0.54
▸ CALCR P30988 1/20 0.54
▸ TFPI P10646 4/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ NPY5R Q15761 4/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY4R P50391 3/20 0.52
▸ NPY2R P49146 1/20 0.52

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
SCHEMBL26454802 0.96 EPHA2 (0.59) NMUR2NMUR1EPHA2RAMP3CALCR
SCHEMBL26454604 0.94 NMUR2 (0.60) NMUR2NMUR1RAMP3CALCRTFPI
SCHEMBL26454355 0.91 NMUR2 (0.58) NMUR2NMUR1RAMP3CALCRTFPI
SCHEMBL26454697 0.91 TFPI (0.63) NMUR2NMUR1RAMP3CALCRTFPI
SCHEMBL17722477 0.91 TFPI (0.63) NMUR2NMUR1EPHA2RAMP3CALCR
SCHEMBL17722497 0.91 TFPI (0.61) NMUR2NMUR1EPHA2TFPIOPRM1
SCHEMBL13086158 0.90 NMUR2 (0.64) NMUR2NMUR1EPHA2TFPIOPRM1
SCHEMBL26454508 0.90 TFPI (0.63) NMUR2NMUR1EPHA2TFPINPY5R
SCHEMBL17722478 0.89 TFPI (0.64) NMUR2NMUR1EPHA2TFPIOPRM1
SCHEMBL26454452 0.88 TFPI (0.61) NMUR2NMUR1RAMP3CALCRTFPI

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-20230133885-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW THE UNIVERSITY OF SYDNEY (AU) 2023-05-04 — — 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-20230133885-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW SCLY, SRM, SELENOI NMUR2 2350/4885NMUR1 2854/4885EPHA2 2192/4885

“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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