SCHEMBL22962154

SCHEMBL22962154

COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
CMA1 P23946 14/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTRC Q99895 2/20 0.49
ACE P12821 1/20 0.49
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 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
SCHEMBL22962350 0.96 F2 (0.57) F2PRSS1CMA1ITGB3ITGA2B
SCHEMBL22962005 0.90 F2 (0.58) F2PRSS1CMA1ITGB3ITGA2B
SCHEMBL20174121 0.85 F2 (0.54) F2PRSS1CMA1
SCHEMBL7312472 0.84 ITGB3 (0.59) F2PRSS1CMA1ITGB3ITGA2B
SCHEMBL22962169 0.84 ACE (0.67) F2PRSS1CMA1ACE
SCHEMBL30279308 0.83 F2 (0.60) F2PRSS1CMA1CTRCACE
SCHEMBL30440351 0.82 CMA1 (0.55) F2PRSS1CMA1ITGB3ITGA2B
SCHEMBL10061557 0.82 CMA1 (0.55) F2PRSS1CMA1ITGB3ITGA2B
SCHEMBL10445408 0.82 CMA1 (0.56) F2PRSS1CMA1CTRCACE
SCHEMBL10697532 0.82 F2 (0.58) F2PRSS1CMA1CTRCACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 US 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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 F2 3195/4885PRSS1 2910/4885CMA1 2533/4885

“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.