SCHEMBL6730271

SCHEMBL6730271

CCOC(=O)CCCOc1ccc(C[C@H](Nc2nc3cc(Br)cc(F)c3o2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
PTPN1 P18031 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NPR3 P17342 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PPARG P37231 3/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
LTA4H P09960 2/20 0.35
FFAR1 O14842 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.34
PPARA Q07869 2/20 0.33
MMP13 P45452 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
SCHEMBL7018527 0.91 PPARG (0.43) ELANEPPARGITGB3ITGA2BPPARA
SCHEMBL6284756 0.83 NPR3 (0.33) ELANEPTPN1NPR3PPARGITGB3
SCHEMBL6289055 0.82 ELANE (0.48) ELANEPTPN1CYSLTR2CYSLTR1PPARG
SCHEMBL6283666 0.76 RAB9A (0.39) PTPN1PDE3BPDE3AP2RY12CYSLTR2
SCHEMBL6280034 0.73 PDE3B (0.44) PTPN1PDE3BPDE3AP2RY12CYSLTR2
SCHEMBL6284775 0.73 MAPK1 (0.46) PTPN1CYSLTR2CYSLTR1LTA4H
SCHEMBL6289067 0.72 PDE3B (0.43) PTPN1PDE3BPDE3AP2RY12CYSLTR2
SCHEMBL7010549 0.72 PPARG (0.51) ELANEPPARGPPARA
SCHEMBL6283936 0.71 MAPT (0.44) PTPN1ITGB3ITGA2BLTA4H
SCHEMBL6286612 0.69 LTA4H (0.47) PTPN1CYSLTR2CYSLTR1ITGB3ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ELANE 805/4885PTPN1 2255/4885PDE3B 980/4885

“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.