SCHEMBL29706320

SCHEMBL29706320

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.52
▸ OPRD1 P41143 3/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ CALCR P30988 4/20 0.49
▸ F2 P00734 4/20 0.49
▸ AGTR2 P50052 1/20 0.48

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
SCHEMBL29706231 0.96 SLC6A2 (0.52) SLC6A2OPRD1OPRM1CALCRF2
SCHEMBL29706275 0.95 SLC6A2 (0.57) SLC6A2OPRD1OPRM1CALCRF2
SCHEMBL29706479 0.95 SLC6A2 (0.57) SLC6A2OPRD1OPRM1CALCRF2
SCHEMBL29706204 0.93 SLC6A2 (0.54) SLC6A2OPRD1OPRM1CALCRF2
SCHEMBL29706227 0.90 SLC6A2 (0.64) SLC6A2OPRD1OPRM1AGTR2
SCHEMBL29706298 0.89 SLC6A2 (0.59) SLC6A2OPRD1OPRM1CALCRAGTR2
SCHEMBL29706203 0.86 MAPK8 (0.56) SLC6A2OPRD1OPRM1CALCRAGTR2
SCHEMBL30598147 0.85 MAPK8 (0.54) OPRD1OPRM1CALCRF2
SCHEMBL30648473 0.84 F2 (0.55) SLC6A2OPRD1OPRM1CALCRF2
SCHEMBL29706182 0.83 SLC6A2 (0.53) SLC6A2CALCRF2AGTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416329-A1 A PEPTIDE WITH DISULFIDE BONDS AND INHIBITORY ACTIVITY AGAINST SERINE PROTEASES, DERIVED HYBRID PEPTIDES THEREOF, AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-12-28 — — US disclosed
CN-116615436-A Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide 中国医学科学院药物研究所 2023-08-18 — — CN disclosed
WO-2022111713-A9 POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF 中国医学科学院药物研究所 2023-07-27 — — WO disclosed
CN-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 — — CN disclosed
WO-2022111713-A1 POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF 中国医学科学院药物研究所 2022-06-02 — — WO 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-20230416329-A1 A PEPTIDE WITH DISULFIDE BONDS AND INHIBITORY ACTIVITY AGAINST SERINE PROTEASES, DERIVED HYBRID PEPTIDES THEREOF, AND USES THEREOF VIP, SI, TMPRSS15 SLC6A2 2974/4885OPRD1 4595/4885OPRM1 4791/4885

“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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