SCHEMBL24130643

SCHEMBL24130643

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.59
KLK5 Q9Y337 2/20 0.59
MAPT P10636 1/20 0.58
CTSK P43235 2/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CAPN1 P07384 2/20 0.54
CAPN2 P17655 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
SIRT5 Q9NXA8 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53

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
SCHEMBL24130639 1.00 KLK7 (0.59) KLK7KLK5MAPTCTSKCA1
SCHEMBL21981287 0.96 CTSK (0.58) KLK7KLK5CTSKCAPN1CAPN2
SCHEMBL20669109 0.96 CTSK (0.58) KLK7KLK5CTSKCAPN1CAPN2
SCHEMBL22834107 0.94 KLK7 (0.54) KLK7KLK5MAPTCA1CA2
SCHEMBL22834109 0.94 KLK7 (0.54) KLK7KLK5MAPTCA1CA2
SCHEMBL24130347 0.94 CAPN1 (0.62) KLK7KLK5CTSKCAPN1CAPN2
SCHEMBL7323841 0.93 KLK7 (0.63) KLK7KLK5MAPTCA1CA2
SCHEMBL22834242 0.93 KLK7 (0.54) KLK7KLK5MAPTCTSKCAPN1
SCHEMBL22834240 0.93 KLK7 (0.54) KLK7KLK5MAPTCTSKCAPN1
SCHEMBL21981346 0.93 CAPN1 (0.59) KLK7KLK5CTSKCAPN1CAPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210110-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS AJINOMOTO CO., INC. (JP) 2023-07-06 US disclosed
WO-2021256546-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS 味の素株式会社 2021-12-23 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-20230210110-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS DAO, ALAD, BCAT1 KLK7 3567/4885KLK5 3685/4885MAPT 3905/4885

“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.