SCHEMBL6286754

SCHEMBL6286754

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
MAPT P10636 4/20 0.38
PPARD Q03181 2/20 0.37
PPARG P37231 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT1 P42224 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PTPN1 P18031 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGAV P06756 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37

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
SCHEMBL6286984 0.91 RAB9A (0.35) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6223363 0.90 ITGB1 (0.47) ITGB1ITGA5MAPTPPARDPPARG
SCHEMBL6289046 0.85 PPARG (0.41) PPARG
SCHEMBL6284775 0.81 MAPK1 (0.46) ITGB1ITGA5MAPTNPC1RAB9A
SCHEMBL6868159 0.81 ITGB3 (0.51) ITGB1ITGB3ITGAVITGA2B
SCHEMBL6220191 0.80 LDHA (0.39) ITGB1ITGA5MAPTPPARGRAB9A
SCHEMBL6221729 0.80 ITGB3 (0.37) ITGB1ITGA5PPARGITGB3ITGAV
SCHEMBL6221406 0.80 PPARD (0.42) ITGB1ITGA5MAPTPPARDPPARG
SCHEMBL6281586 0.80 MAPT (0.39) ITGB1ITGA5MAPTNPC1RAB9A
SCHEMBL6286236 0.80 MAPT (0.39) ITGB1ITGA5MAPTPPARDPPARG

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 ITGB1 64/4885ITGA5 172/4885MAPT 4359/4885

“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.