Sugi Predict

Sugi Predict / Compounds / SCHEMBL7217641

SCHEMBL7217641

SCHEMBL7217641

COC(=O)C[C@@H]1NC(=O)N(N(CCC(=O)ONC(=O)OCc2ccccc2)C(C)=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KAT2B Q92831 1/20 0.36
▸ ITGB3 P05106 4/20 0.36
▸ ITGAV P06756 4/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ITGA2B P08514 3/20 0.34

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
SCHEMBL7212573 0.94 ITGB3 (0.36) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7395444 0.91 SYK (0.35) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7211335 0.89 ITGB3 (0.37) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7394925 0.85 ITGB3 (0.35) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7211277 0.85 SYK (0.40) MEN1ALDH1A1KMT2AITGB3ITGAV
SCHEMBL7211497 0.82 ITGB3 (0.52) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7216488 0.81 PSMB1 (0.33) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7217669 0.79 ITGB3 (0.42) ALDH1A1CYP3A4MAPK1ITGB3ITGAV
Acetic Acid SCHEMBL7217682 0.76 ITGB3 (0.40) MEN1ALDH1A1CYP3A4KMT2ATSHR
SCHEMBL7376134 0.70 CA12 (0.56) ALDH1A1KMT2ATSHRMAPK1LMNA

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 MEN1 525/4885ALDH1A1 4551/4885CYP3A4 3967/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST MEN1 525/4885ALDH1A1 4551/4885CYP3A4 3967/4885

“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.