SCHEMBL7034864

SCHEMBL7034864

COc1ccc(C(=O)N[C@@H](CNC(=O)c2ccc(OCCNC(=N)N)cc2O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
PTPN1 P18031 1/20 0.43
NPC1 O15118 2/20 0.43
F10 P00742 3/20 0.42
ITGB3 P05106 2/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.40
APP P05067 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 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
SCHEMBL7032350 0.93 MEN1 (0.46) NPC1F10ITGB3F2PLAU
SCHEMBL7030474 0.92 F10 (0.43) CA2NPC1F10ITGB3F2
SCHEMBL7037813 0.92 ITGB3 (0.49) PTPN1NPC1F10ITGB3F2
SCHEMBL7034005 0.91 F10 (0.43) CA2PTPN1F10ITGB3F2
SCHEMBL7035472 0.91 PTPN1 (0.43) CA2PTPN1NPC1F10ITGB3
SCHEMBL7037930 0.91 ITGB3 (0.42) NPC1F10ITGB3F2PLAU
SCHEMBL7032531 0.89 ITGB3 (0.42) F10ITGB3F2PLAUPLAT
SCHEMBL7030722 0.89 F10 (0.40) F10ITGB3F2PLAUPLAT
SCHEMBL7038403 0.89 FPR2 (0.45) F10F2PLAUPLATTAS1R3
SCHEMBL7255333 0.88 F10 (0.40) CA2F10ITGB3F2PLAU

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 CA2 4818/4885PTPN1 2743/4885NPC1 694/4885

“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.