SCHEMBL10099997

SCHEMBL10099997

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSK P43235 11/20 0.44
CTSS P25774 10/20 0.44
CTSB P07858 4/20 0.44
PTPN1 P18031 2/20 0.43
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.42
TACR1 P25103 1/20 0.42
CTSL P07711 2/20 0.42

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
SCHEMBL5312623 0.90 CYP1A2 (0.49) CTSKCTSSCTSBACEKLK5
SCHEMBL8007016 0.87 LCK (0.48) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL10099944 0.87 LCK (0.48) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL14051409 0.86 ITGB3 (0.52) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL17933019 0.86 KLK5 (0.55) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL10099995 0.86 KLK5 (0.55) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL15711960 0.86 ITGB3 (0.49) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL8279052 0.85 CTSK (0.58) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL16084888 0.85 CTSK (0.58) ITGB3ITGA2BCTSKCTSSCTSB
SCHEMBL14639622 0.85 CTSK (0.58) ITGB3ITGA2BCTSKCTSSCTSB

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 ITGB3 3514/4885ITGA2B 2364/4885CTSK 2257/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 ITGB3 3970/4885ITGA2B 2825/4885CTSK 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.