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Sugi Predict / Compounds / SCHEMBL29706199

SCHEMBL29706199

SCHEMBL29706199

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ NPY2R P49146 9/20 0.48
▸ NPY1R P25929 7/20 0.48
▸ NPY4R P50391 7/20 0.48
▸ NPY5R Q15761 7/20 0.48
▸ CXCR4 P61073 2/20 0.48
▸ CALCR P30988 3/20 0.47
▸ EPHA2 P29317 2/20 0.47

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
SCHEMBL29706201 0.96 MAPK8 (0.59) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL29706365 0.96 MAPK8 (0.56) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL29706232 0.96 MAPK8 (0.56) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL29706187 0.94 MAPK8 (0.59) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL30574234 0.93 MAPK8 (0.59) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL30688074 0.91 MAPK8 (0.58) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL29706239 0.91 MAPK8 (0.59) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL29706255 0.91 MAPK8 (0.56) MAPK8MAPK9MAPK10
SCHEMBL30598182 0.90 MAPK8 (0.60) MAPK8MAPK9MAPK10NPY2RNPY1R
SCHEMBL29706167 0.89 MAPK8 (0.56) MAPK8MAPK9MAPK10NPY2RNPY1R

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 MAPK8 2212/4885MAPK9 1658/4885MAPK10 2052/4885

“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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