SCHEMBL6284775

SCHEMBL6284775

CCOC(=O)CCCOc1ccc(C[C@H](Nc2nc3ccccc3s2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ITGB1 P05556 2/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
ITGA5 P08648 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT1 P42224 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PTPN1 P18031 2/20 0.42
LTA4H P09960 4/20 0.42
MAPT P10636 3/20 0.42
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL6221979 0.90 ITGB1 (0.53) MAPK1ITGB1CYSLTR2CYSLTR1ITGA5
SCHEMBL6283666 0.89 RAB9A (0.39) CYSLTR2CYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL6286907 0.82 ELANE (0.46) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6289055 0.82 ELANE (0.48) CYSLTR2CYSLTR1PTPN1LTA4HFAAH
SCHEMBL6286754 0.81 ITGB1 (0.39) ITGB1ITGA5NPC1RAB9ASMN1; SMN2
SCHEMBL4831646 0.80 ITGB1 (0.48) ITGB1ITGA5NPC1RAB9ASMN1; SMN2
SCHEMBL27750801 0.80 HDAC3 (0.41) MAPK1ITGB1ITGA5NPC1RAB9A
SCHEMBL6222076 0.78 LDHA (0.42) ITGB1ITGA5NPC1RAB9ASMN1; SMN2
SCHEMBL468297 0.77 PTPRB (0.51) CYP2C19
SCHEMBL468299 0.77 PTPRB (0.51) CYP2C19

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 MAPK1 1651/4885ITGB1 64/4885CYSLTR2 377/4885

“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.