SCHEMBL6286236

SCHEMBL6286236

COc1ccc2[nH]c(N[C@@H](Cc3ccc(OCCCC(=O)NC4=NCCCN4)cc3)C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PTPN1 P18031 1/20 0.36
ALPL P05186 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6281586 0.93 MAPT (0.39) MAPTNPC1RAB9APTPN1ALDH1A1
SCHEMBL6221855 0.91 NPC1 (0.42) MAPTNPC1RAB9AALPLALDH1A1
SCHEMBL6221415 0.84 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1ITGB3
SCHEMBL6289067 0.82 PDE3B (0.43) MAPTNPC1RAB9APTPN1ALDH1A1
SCHEMBL6222797 0.81 NPC1 (0.54) MAPTNPC1RAB9APTPN1ALDH1A1
SCHEMBL6289046 0.80 PPARG (0.41) PPARGPPARA
SCHEMBL6286754 0.80 ITGB1 (0.39) MAPTNPC1RAB9APTPN1ALDH1A1
SCHEMBL6286984 0.79 RAB9A (0.35) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL6284756 0.78 NPR3 (0.33) MAPTPTPN1ITGB3ITGA2BPPARG
SCHEMBL6868246 0.77 ITGB3 (0.43) ITGB3ITGA2BITGB1

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-6838453-B2 Antagonist derivatives of the vitronectin receptor AVENTIS PHARMA S.A. (FR) 2005-01-04 US disclosed
US-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR AVENTIS PHARMA S.A. (FR) 2004-11-11 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 (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-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR ADGRF1, BDKRB1, ADGRE5 MAPT 4359/4885NPC1 1519/4885RAB9A 2488/4885

“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.