SCHEMBL22493537

SCHEMBL22493537

COC(=O)C(CCCCN)NC(=O)C1NCCS1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
KLKB1 P03952 1/20 0.35
ERAP2 Q6P179 3/20 0.35
LNPEP Q9UIQ6 1/20 0.35
ERAP1 Q9NZ08 1/20 0.34
CNR2 P34972 1/20 0.34
CTSB P07858 5/20 0.34
CTSH P09668 4/20 0.34
CTSK P43235 4/20 0.34
CTSL P07711 3/20 0.34
CTSS P25774 3/20 0.34
CTSF Q9UBX1 2/20 0.34
ANPEP P15144 1/20 0.34
CTSV O60911 1/20 0.34

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
SCHEMBL22493536 1.00 ITGB3 (0.38) ITGB3ITGA2BKLKB1ERAP2LNPEP
SCHEMBL299855 0.74 ITGB3 (0.43) ITGB3ITGA2BCTSKCTSS
SCHEMBL25661167 0.74 CTSB (0.56) ITGB3ITGA2BCTSBCTSHCTSK
SCHEMBL22511372 0.73 PRCP (0.35)
SCHEMBL22493569 0.73 PRCP (0.35)
SCHEMBL6308179 0.71 GSR (0.38)
SCHEMBL15148580 0.71 ERAP2 (0.43) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL634032 0.71 FOLH1 (0.46) ERAP2LNPEPERAP1CNR2ANPEP
SCHEMBL2387748 0.71 SIRT6 (0.54) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL5494276 0.71 SIRT6 (0.54) ITGB3ITGA2BERAP2LNPEPERAP1

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-20200317723-A1 Bioconjugation of Polypeptides THE UNIVERSITY OF YORK (GB) 2020-10-08 US claimed

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-20200317723-A1 Bioconjugation of Polypeptides PTMS, EPCAM, IAPP ITGB3 918/4885ITGA2B 2313/4885KLKB1 353/4885

“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.