SCHEMBL29706182

SCHEMBL29706182

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nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.53
▸ CALCRL Q16602 1/20 0.50
▸ AGTR1 P30556 2/20 0.49
▸ AGTR2 P50052 2/20 0.49
▸ F2 P00734 1/20 0.49
▸ NTSR2 O95665 7/20 0.49
▸ NTSR1 P30989 7/20 0.49
▸ SORT1 Q99523 7/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ CALCR P30988 3/20 0.49

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
SCHEMBL29706382 0.92 SLC6A2 (0.53) SLC6A2AGTR1AGTR2NTSR2NTSR1
SCHEMBL29706299 0.92 CALCR (0.57) F2NTSR2NTSR1SORT1MAPK8
SCHEMBL29706298 0.92 SLC6A2 (0.59) SLC6A2CALCRLAGTR1AGTR2CALCR
SCHEMBL29706227 0.92 SLC6A2 (0.64) SLC6A2CALCRLAGTR1AGTR2NTSR2
SCHEMBL29706323 0.91 MAPK8 (0.46) SLC6A2CALCRLAGTR1AGTR2F2
SCHEMBL29706221 0.90 MAPK8 (0.46) CALCRLAGTR1AGTR2NTSR2NTSR1
SCHEMBL29706176 0.90 MAPK8 (0.48) CALCRLNTSR2NTSR1SORT1MAPK8
SCHEMBL29706331 0.89 MAPK8 (0.46) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL29706157 0.88 MAPK8 (0.46) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL29706174 0.87 CAPN1 (0.49) NTSR2NTSR1SORT1MAPK8MAPK9

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 2974/4885CALCRL 1742/4885AGTR1 1788/4885

“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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