SCHEMBL10099995

SCHEMBL10099995

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.55
CTSS P25774 10/20 0.48
CTSK P43235 9/20 0.48
CTSB P07858 4/20 0.48
ACE P12821 1/20 0.47
CTSL P07711 2/20 0.46
LCK P06239 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
TACR1 P25103 1/20 0.44
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 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
SCHEMBL17933019 1.00 KLK5 (0.55) KLK5CTSSCTSKCTSBACE
SCHEMBL5312623 0.91 CYP1A2 (0.49) KLK5CTSSCTSKCTSBACE
SCHEMBL8300244 0.90 KLK5 (0.53) KLK5CTSSCTSKCTSBACE
SCHEMBL10099992 0.90 KLK5 (0.53) KLK5CTSSCTSKCTSBACE
SCHEMBL30958037 0.89 KLK5 (0.52) KLK5CTSSCTSKCTSBACE
SCHEMBL30958049 0.89 KLK5 (0.52) KLK5CTSSCTSKCTSBACE
SCHEMBL10042354 0.89 KLK5 (0.52) KLK5CTSSCTSKCTSBACE
SCHEMBL17933020 0.88 ACE (0.60) CTSSCTSKCTSBACECTSL
SCHEMBL10099987 0.88 ACE (0.60) CTSSCTSKCTSBACECTSL
SCHEMBL10099997 0.86 ITGB3 (0.47) KLK5CTSSCTSKCTSBACE

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 4607/4885CTSS 2478/4885CTSK 2257/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 KLK5 4513/4885CTSS 2527/4885CTSK 2358/4885

“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.