SCHEMBL7211516

SCHEMBL7211516

N=C(N)NC(=O)CC[N+]1(CC(=O)NC(CC(=O)[O-])NC(=O)OCc2ccccc2)C(=O)CNC1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.35
CTSL P07711 1/20 0.33
GAA P10253 1/20 0.33
F2 P00734 2/20 0.32
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
PLAT P00750 2/20 0.32
KLK8 O60259 1/20 0.32
F10 P00742 1/20 0.32
KLK4 Q9Y5K2 1/20 0.32

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
SCHEMBL7217675 0.94 CASP1 (0.39) CASP1CTSL
SCHEMBL7974938 0.89 CASP1 (0.36) CASP1CTSL
SCHEMBL7212579 0.85 CTSL (0.38) CASP1CTSL
SCHEMBL7217644 0.83 CTSL (0.36) CASP1CTSL
SCHEMBL7211505 0.81 ITGB3 (0.42) CASP1CTSL
SCHEMBL7212746 0.80 ITGB3 (0.39) CASP1CTSL
SCHEMBL7217701 0.79 SYK (0.42)
SCHEMBL7216491 0.79 ITGB3 (0.40) GAA
SCHEMBL7217673 0.76 ALOX15 (0.31)
SCHEMBL7216436 0.76 ITGB3 (0.39)

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 CASP1 2981/4885CTSL 761/4885GAA 2085/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CASP1 2981/4885CTSL 761/4885GAA 2085/4885

“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.