SCHEMBL7039028

SCHEMBL7039028

N=C(N)NCCOc1ccc(C(=O)NC[C@H](NC(=O)NCc2ccccc2)C(=O)O)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGAV P06756 3/20 0.41
POLB P06746 2/20 0.41
MAOB P27338 2/20 0.40
F10 P00742 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NAMPT P43490 1/20 0.38
ITGA2B P08514 1/20 0.38
CAPN1 P07384 1/20 0.38
ATM Q13315 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL7030855 0.92 KMT2A (0.46) ITGB3ITGAVPOLBF10MAPT
SCHEMBL7037677 0.90 ITGB3 (0.45) ITGB3ITGAVPOLBMAOBF10
SCHEMBL7036018 0.89 F10 (0.42) ITGB3ITGAVPOLBF10KMT2A
SCHEMBL7032627 0.88 ITGB3 (0.47) ITGB3ITGAVPOLBMAOBF10
SCHEMBL7034815 0.88 ITGB3 (0.53) ITGB3ITGAVMAPTL3MBTL1ITGA2B
SCHEMBL7039300 0.88 F10 (0.46) ITGB3ITGAVPOLBF10TDP1
SCHEMBL7248927 0.87 NAMPT (0.45) ITGB3ITGAVPOLBMAOBTDP1
SCHEMBL7037813 0.87 ITGB3 (0.49) ITGB3ITGAVPOLBF10KMT2A
SCHEMBL7255333 0.87 F10 (0.40) ITGB3ITGAVPOLBF10KMT2A
SCHEMBL7251419 0.87 MEN1 (0.42) ITGB3ITGAVPOLBF10MAPT

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-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 ITGB3 403/4885ITGAV 289/4885POLB 3397/4885

“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.