Sugi Predict

Sugi Predict / Compounds / SCHEMBL7216488

SCHEMBL7216488

SCHEMBL7216488

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ ITGB3 P05106 4/20 0.32
▸ ITGAV P06756 4/20 0.32
▸ ITGA2B P08514 4/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL7216598 0.85 ITGB3 (0.42) SIRT2ITGB3ITGAVITGA2BCTSL
SCHEMBL7212573 0.82 ITGB3 (0.36) ITGB3ITGAVITGA2BCTSLCTSS
SCHEMBL7211335 0.81 ITGB3 (0.37) ITGB3ITGAVITGA2BMEN1ALDH1A1
SCHEMBL7217641 0.81 MEN1 (0.37) ITGB3ITGAVITGA2BMEN1ALDH1A1
SCHEMBL7395444 0.80 SYK (0.35) ITGB3ITGAVITGA2BCTSLCTSK
SCHEMBL7394925 0.80 ITGB3 (0.35) ITGB3ITGAVITGA2BCTSLCTSK
SCHEMBL7211277 0.77 SYK (0.40) ITGB3ITGAVITGA2BCTSLCTSK
SCHEMBL7211497 0.76 ITGB3 (0.52) PSMB1PSMB5FASNITGB3ITGAV
Acetic Acid SCHEMBL7217682 0.72 ITGB3 (0.40) PSMB1PSMB5FASNITGB3ITGAV
SCHEMBL7217669 0.72 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1CYP3A4

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 PSMB1 3995/4885PSMB5 3144/4885FASN 4187/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST PSMB1 3995/4885PSMB5 3144/4885FASN 4187/4885

“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.