SCHEMBL29706323

SCHEMBL29706323

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CAPN1 P07384 4/20 0.45
▸ CALCR P30988 4/20 0.44
▸ CALCRL Q16602 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ AGTR1 P30556 2/20 0.41
▸ AGTR2 P50052 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ GRB2 P62993 1/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40

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
SCHEMBL29706221 0.97 MAPK8 (0.46) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706176 0.96 MAPK8 (0.48) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706331 0.95 MAPK8 (0.46) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706196 0.95 CALCR (0.49) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706245 0.95 CALCR (0.49) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706216 0.95 CALCR (0.49) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706157 0.94 MAPK8 (0.46) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706139 0.94 CALCR (0.50) MAPK8MAPK9MAPK10CALCRHCRTR1
SCHEMBL29706209 0.94 CALCR (0.48) MAPK8MAPK9MAPK10CAPN1CALCR
SCHEMBL29706174 0.93 CAPN1 (0.49) MAPK8MAPK9MAPK10CAPN1CALCR

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.

Send feedback