SCHEMBL7033889

SCHEMBL7033889

O=C(NCCOc1ccc(C(=O)NC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(O)c1)NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
ITGB3 P05106 10/20 0.46
ITGAV P06756 5/20 0.46
EGLN2 Q96KS0 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
ITGA2B P08514 5/20 0.42
GPR132 Q9UNW8 4/20 0.41
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41
HDAC1 Q13547 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41
SYK P43405 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL7035562 0.93 NAMPT (0.53) NAMPTGPR132FESRETMARK3
SCHEMBL7035254 0.92 NAMPT (0.52) NAMPTITGB3ITGAVGPR132CMKLR2
SCHEMBL7032579 0.92 ITGB3 (0.49) NAMPTITGB3ITGAVEGLN2EGLN1
SCHEMBL7036085 0.92 NAMPT (0.55) NAMPTGPR132CMKLR2CMKLR1FES
SCHEMBL7033770 0.92 ITGB3 (0.53) NAMPTITGB3ITGAVEGLN2EGLN1
SCHEMBL7030829 0.92 NAMPT (0.51) NAMPTITGB3ITGAVITGA2BGPR132
SCHEMBL7030493 0.92 NAMPT (0.51) NAMPTITGB3ITGAVITGA2BGPR132
SCHEMBL7252566 0.91 NAMPT (0.58) NAMPTGPR132CMKLR2CMKLR1FES
SCHEMBL7032513 0.91 NAMPT (0.51) NAMPTITGB3ITGAVITGA2BGPR132
SCHEMBL7035362 0.91 NAMPT (0.51) NAMPTITGB3ITGAVEGLN2EGLN1

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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US claimed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR NAMPT 566/4885ITGB3 403/4885ITGAV 289/4885

“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.