SCHEMBL31719706

SCHEMBL31719706

CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CO)C(C)C)C(C)C)C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.65
▸ OPRL1 P41146 9/20 0.59
▸ VIPR1 P32241 2/20 0.58
▸ VIPR2 P41587 2/20 0.56

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
Neuropeptide S SCHEMBL29464558 0.95 TFPI (0.61) TFPIOPRL1VIPR1
SCHEMBL31060486 0.92 OPRL1 (0.69) TFPIOPRL1
SCHEMBL31593267 0.91 IL23R (0.59) TFPIOPRL1
SCHEMBL31005075 0.90 TFPI (0.66) TFPIVIPR1VIPR2
SCHEMBL30974343 0.90 TFPI (0.58) TFPIOPRL1VIPR1VIPR2
SCHEMBL30974318 0.90 TFPI (0.58) TFPIOPRL1VIPR1VIPR2
SCHEMBL30880880 0.90 TFPI (0.60) TFPIOPRL1VIPR1VIPR2
Nociceptin SCHEMBL29356402 0.89 OPRL1 (0.66) TFPIOPRL1VIPR1VIPR2
SCHEMBL29624097 0.89 VIPR1 (0.68) TFPIVIPR1VIPR2
SCHEMBL30436216 0.89 TFPI (0.79) TFPIVIPR1VIPR2

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-20250340892-A1 GRAM-NEGATIVE BACTERIA CONTAINING PEPTIDE SECRETION SYSTEM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-11-06 — — 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-20250340892-A1 GRAM-NEGATIVE BACTERIA CONTAINING PEPTIDE SECRETION SYSTEM PSAT1, CAB39, MRPL21 TFPI 1582/4885OPRL1 3081/4885VIPR1 1641/4885

“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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