SCHEMBL10099992

SCHEMBL10099992

COC(=O)[C@H](Cc1ccc(C)c(O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.53
LCK P06239 1/20 0.52
CTSS P25774 10/20 0.48
CTSK P43235 9/20 0.48
CTSB P07858 4/20 0.47
ACE P12821 1/20 0.46
CTSL P07711 2/20 0.45
TACR1 P25103 1/20 0.45
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL8300244 0.90 KLK5 (0.53) KLK5LCKCTSSCTSKCTSB
SCHEMBL10099995 0.90 KLK5 (0.55) KLK5LCKCTSSCTSKCTSB
SCHEMBL3013721 0.90 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL3013717 0.90 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL17933019 0.90 KLK5 (0.55) KLK5LCKCTSSCTSKCTSB
SCHEMBL30958037 0.87 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL30958049 0.87 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL10042354 0.87 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL30765061 0.87 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL27125012 0.87 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 US disclosed
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS BAR-ILAN UNIVERSITY (IL) 2012-11-01 US disclosed
US-8207369-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-06-26 US disclosed
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-02-10 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 (2 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-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, GABRB2, SLC6A13 KLK5 4607/4885LCK 3607/4885CTSS 2478/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 KLK5 4513/4885LCK 2796/4885CTSS 2527/4885

“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.