SCHEMBL31418387

SCHEMBL31418387

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.63
▸ REN P00797 5/20 0.61
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ CXCR4 P61073 1/20 0.58
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ AGTR1 P30556 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
SCHEMBL30364495 0.95 TFPI (0.68) TFPIRENNPY2RNPY4RNPY5R
SCHEMBL29614957 0.92 TFPI (0.63) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30872190 0.88 CXCR4 (0.64) TFPINPY2RNPY4RNPY5RNPY1R
Melectin SCHEMBL30448502 0.86 REN (0.62) TFPIREN
SCHEMBL29587816 0.85 VIPR2 (0.63) —
SCHEMBL29358935 0.84 TFPI (0.64) TFPIRENNPY2RNPY4RNPY5R
SCHEMBL29776068 0.84 TFPI (0.65) TFPIRENNPY2RNPY4RNPY5R
SCHEMBL30300729 0.83 REN (0.63) RENNPY2RNPY4RNPY5RNPY1R
SCHEMBL29412270 0.83 VIPR2 (0.66) —
SCHEMBL30711673 0.83 PTH1R (0.68) —

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-12281205-B2 Modified antibacterial compositions and methods THE UNIVERSITY OF MELBOURNE (AU) 2025-04-22 — — 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-12281205-B2 Modified antibacterial compositions and methods TUFM, CLPTM1, MRPL21 TFPI 4134/4885REN 2102/4885NPY2R 1702/4885

“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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