SCHEMBL4641344

SCHEMBL4641344

O=C(NCc1ccccc1)Nc1cccc(Sc2ncnc3c2ncn3C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGAV P06756 16/20 0.48
MAPT P10636 1/20 0.39
KDR P35968 2/20 0.39
RET P07949 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL4641533 0.92 ITGB3 (0.42) ITGB3ITGAVMAPTKDRRET
SCHEMBL6807080 0.86 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL6806739 0.84 ITGB3 (0.40) ITGB3ITGAVMAPTKDRRET
SCHEMBL7060984 0.80 MAPT (0.37) ITGB3ITGAVMAPTKDRRET
SCHEMBL4640795 0.77 SLC29A1 (0.38) ITGB3ITGAVMAPT
SCHEMBL5840142 0.75 HDAC6 (0.47) ITGB3ITGAV
SCHEMBL4641283 0.74 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL4640793 0.73 ITGB3 (0.47) ITGB3ITGAV
SCHEMBL4640796 0.73 ITGB3 (0.47) ITGB3ITGAV
SCHEMBL6804204 0.73 ITGB3 (0.47) ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP disclosed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 EP 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI ITGB3 3138/4885ITGAV 2425/4885MAPT 4311/4885

“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.