SCHEMBL26454697

SCHEMBL26454697

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TFPI P10646 7/20 0.63
NPY2R P49146 7/20 0.60
NPY4R P50391 7/20 0.60
NPY5R Q15761 7/20 0.60
NPY1R P25929 5/20 0.60
RAMP3 O60896 1/20 0.58
CALCR P30988 1/20 0.58
NMUR2 Q9GZQ4 2/20 0.57
NMUR1 Q9HB89 2/20 0.57
KDM1A O60341 1/20 0.57

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
SCHEMBL26454508 0.99 TFPI (0.63) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL26454452 0.97 TFPI (0.61) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL17722481 0.97 TFPI (0.66) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL26454604 0.97 NMUR2 (0.60) TFPINPY4RNPY5RNPY1RRAMP3
SCHEMBL17722484 0.95 TFPI (0.61) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL26454843 0.95 TFPI (0.60) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL26454355 0.94 NMUR2 (0.58) TFPINPY4RNPY5RNPY1RRAMP3
SCHEMBL17722497 0.94 TFPI (0.61) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL26454802 0.94 EPHA2 (0.59) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL13086158 0.93 NMUR2 (0.64) TFPINMUR2NMUR1

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 TFPI 2273/4885NPY2R 3055/4885NPY4R 3180/4885

“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.