SCHEMBL7217690

SCHEMBL7217690

CC(=O)OC(=O)CC(NC(=O)C[N+]1(CCCNC2=NC3CCCCC3N2)C(=O)CNC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
CTSL P07711 7/20 0.32
CTSB P07858 5/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MALT1 Q9UDY8 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL7212721 0.92 ITGB3 (0.35) ITGB3ITGAVNPC1TP53RAB9A
SCHEMBL7211696 0.78 ITGB3 (0.35) ITGB3ITGAVCTSLCTSBNPC1
SCHEMBL7217714 0.77 ITGB3 (0.46) ITGB3ITGAVMALT1CASP1
SCHEMBL7211342 0.76 ITGB3 (0.43) ITGB3ITGAVCTSLCTSBCTSS
SCHEMBL7211505 0.75 ITGB3 (0.42) ITGB3ITGAVCTSLCTSBCTSS
SCHEMBL7212746 0.73 ITGB3 (0.39) ITGB3CTSLCASP1
SCHEMBL7217701 0.72 SYK (0.42) ITGB3MEN1KMT2A
SCHEMBL7974387 0.72 ITGB3 (0.37) ITGB3ITGAVCASP1
SCHEMBL7212704 0.71 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL7211496 0.70 ITGB3 (0.33) ITGB3ITGAVCASP1

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
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
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 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.