SCHEMBL29706382

SCHEMBL29706382

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[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)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.53
▸ NTSR2 O95665 11/20 0.53
▸ NTSR1 P30989 11/20 0.53
▸ SORT1 Q99523 9/20 0.53
▸ AGTR2 P50052 4/20 0.52
▸ AGTR1 P30556 3/20 0.52
▸ CALCR P30988 3/20 0.51

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
SCHEMBL29706182 0.92 SLC6A2 (0.53) SLC6A2NTSR2NTSR1SORT1AGTR2
SCHEMBL29706174 0.92 CAPN1 (0.49) NTSR2NTSR1SORT1CALCR
SCHEMBL29706227 0.92 SLC6A2 (0.64) SLC6A2NTSR2NTSR1SORT1AGTR2
SCHEMBL29706298 0.91 SLC6A2 (0.59) SLC6A2AGTR2AGTR1CALCR
SCHEMBL29706176 0.90 MAPK8 (0.48) NTSR2NTSR1SORT1CALCR
SCHEMBL30648466 0.89 CALCR (0.59) NTSR2NTSR1SORT1CALCR
SCHEMBL30362990 0.88 NPY2R (0.56) NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL29706299 0.88 CALCR (0.57) NTSR2NTSR1SORT1CALCR
SCHEMBL29706238 0.88 MAPK8 (0.55) SLC6A2NTSR2NTSR1SORT1AGTR2
SCHEMBL29706204 0.87 SLC6A2 (0.54) SLC6A2AGTR2AGTR1CALCR

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 2974/4885NTSR2 3238/4885NTSR1 2915/4885

“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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