SCHEMBL7036742

SCHEMBL7036742

O=C(Nc1ccc(F)cc1)N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.38
ITGA5 P08648 4/20 0.38
FOLH1 Q04609 2/20 0.37
FPR2 P25090 2/20 0.36
MAPK10 P53779 2/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 1/20 0.36
ADRA1D P25100 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL7032406 0.93 ITGB1 (0.42) ITGB1ITGA5FPR2TAOK1TAOK3
SCHEMBL7031208 0.92 POLB (0.43) ITGB1ITGA5FPR2TAOK1TAOK3
SCHEMBL7030532 0.92 FPR2 (0.46) ITGB1ITGA5FPR2TAOK1TAOK3
SCHEMBL7039077 0.92 ITGB1 (0.41) ITGB1ITGA5FOLH1FPR2TAOK1
SCHEMBL7030525 0.91 FPR2 (0.44) ITGB1ITGA5FPR2ADRB2ADRB1
SCHEMBL7034485 0.91 FPR2 (0.48) ITGB1ITGA5FPR2MAPTKMT2A
SCHEMBL7032315 0.90 PLAU (0.38) ITGB1ITGA5FOLH1FPR2TAOK1
SCHEMBL7034088 0.88 NPC1 (0.42) MAPTKDM4EKMT2AMEN1GAA
SCHEMBL7029540 0.85 PLAU (0.42) FOLH1FPR2TAOK1TAOK3ADRB2
SCHEMBL7035883 0.85 ITGB1 (0.37) ITGB1ITGA5FOLH1MAPTKMT2A

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 3 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
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO 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 ITGB1 306/4885ITGA5 450/4885FOLH1 1773/4885

“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.