SCHEMBL21896426

SCHEMBL21896426

CN(C)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
HCRTR1 O43613 1/20 0.43
LY96 Q9Y6Y9 1/20 0.42
ACE P12821 1/20 0.42
KLK5 Q9Y337 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL28362228 1.00 ITGB3 (0.44) ITGB3ITGA2BCTSSCTSKMAPT
SCHEMBL21838038 0.91 ITGB3 (0.54) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL21838042 0.91 ITGB3 (0.54) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL25657795 0.81 CTSS (0.51) ITGB3ITGA2BCTSSCTSKMAPT
SCHEMBL12241473 0.79 KLK5 (0.50) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL33526968 0.79 KLK5 (0.50) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL763725 0.79 KLK5 (0.50) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL21945131 0.78 KLK5 (0.49) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL8167522 0.78 KLK5 (0.49) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL3009608 0.78 KLK5 (0.49) ITGB3ITGA2BCTSSCTSKCTSL

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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 ITGB3 4764/4885ITGA2B 4766/4885CTSS 2046/4885

“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.