SCHEMBL10099987

SCHEMBL10099987

Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.60
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
PTPN1 P18031 1/20 0.54
PPARA Q07869 6/20 0.52
PPARG P37231 5/20 0.52
CTSS P25774 9/20 0.52
CTSK P43235 8/20 0.52
CTSB P07858 4/20 0.52
PPARD Q03181 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGB5 P18084 1/20 0.50
CTSL P07711 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49

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
SCHEMBL17933020 1.00 ACE (0.60) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL13286814 0.90 ACE (0.58) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL15565481 0.90 ACE (0.58) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL18553988 0.89 ACE (0.57) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL17580391 0.89 ACE (0.57) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL15335432 0.89 ACE (0.57) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL17933019 0.88 KLK5 (0.55) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL10099995 0.88 KLK5 (0.55) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL24489507 0.88 ACE (0.56) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL10042360 0.88 ITGA4 (0.56) ACEITGB3ITGA2BPTPN1PPARA

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 ACE 2889/4885ITGB3 3514/4885ITGA2B 2364/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 ACE 2927/4885ITGB3 3970/4885ITGA2B 2825/4885

“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.