SCHEMBL6280034

SCHEMBL6280034

CCOC(=O)CCCOc1ccc(C[C@H](Nc2nc3cc(C)ccc3[nH]2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
P2RY12 Q9H244 2/20 0.44
MAPT P10636 1/20 0.41
PTPN1 P18031 2/20 0.40
ITGB1 P05556 2/20 0.39
ITGA5 P08648 1/20 0.39
CNR1 P21554 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
LTA4H P09960 2/20 0.37
MMP13 P45452 1/20 0.37
ITGA4 P13612 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6289067 0.93 PDE3B (0.43) PDE3BPDE3AP2RY12MAPTPTPN1
SCHEMBL6222298 0.90 PDE3B (0.47) PDE3BPDE3AP2RY12MAPTITGB1
SCHEMBL6281586 0.83 MAPT (0.39) MAPTPTPN1ITGB1ITGA5ITGB3
SCHEMBL6222810 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12MAPTPTPN1
SCHEMBL6284775 0.75 MAPK1 (0.46) MAPTPTPN1ITGB1ITGA5CYSLTR2
SCHEMBL6289055 0.75 ELANE (0.48) PTPN1CYSLTR2CYSLTR1LTA4H
SCHEMBL6286236 0.75 MAPT (0.39) MAPTPTPN1ITGB1ITGA5ITGB3
SCHEMBL6283666 0.75 RAB9A (0.39) PDE3BPDE3AP2RY12MAPTPTPN1
SCHEMBL6873358 0.74 TDP1 (0.46) ITGB1ITGA5ITGB3ITGA2BLTA4H
SCHEMBL6730271 0.73 ELANE (0.38) PDE3BPDE3AP2RY12PTPN1CYSLTR2

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 PDE3B 980/4885PDE3A 816/4885P2RY12 766/4885

“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.