SCHEMBL7211701

SCHEMBL7211701

CC(=O)N(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)N1C(=O)CN(CCCNC2=NC3CCCCC3N2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.41
ITGAV P06756 14/20 0.41
CTSL P07711 4/20 0.36
CTSB P07858 3/20 0.36
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
CASP1 P29466 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
SCHEMBL7211687 0.86 ITGB3 (0.53) ITGB3ITGAVCTSLCTSBCTSK
SCHEMBL7212726 0.82 ITGB3 (0.53) ITGB3ITGAV
Acetic Acid SCHEMBL7217682 0.70 ITGB3 (0.40) ITGB3ITGAVCTSLCTSBCTSK
SCHEMBL7211696 0.69 ITGB3 (0.35) ITGB3ITGAVCTSLCTSBCTSK
SCHEMBL7211331 0.69 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL7217721 0.68 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL7445939 0.63 ITGB3 (0.45) ITGB3ITGAVCTSLCTSBCTSK
SCHEMBL7211353 0.63 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL7980895 0.63 PLG (0.45) ITGB3ITGAVCTSLCTSKCTSS
SCHEMBL7211492 0.63 ITGB3 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 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 (2 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885CTSL 761/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885CTSL 761/4885

“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.