Sugi Predict

Sugi Predict / Compounds / SCHEMBL7217669

SCHEMBL7217669

SCHEMBL7217669

CC(=O)N(CCC(=O)ONC(=O)OCc1ccccc1)N1C(=O)N[C@@H](C[C@H](N)Cc2nc3ccccc3[nH]2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.42
▸ ITGAV P06756 12/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ GRIN2B Q13224 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL7211492 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7212662 0.81 CYP1A2 (0.38) ITGB3ITGAVMAPTALDH1A1CYP1A2
SCHEMBL7212573 0.80 ITGB3 (0.36) ITGB3ITGAVITGA2BALDH1A1CYP3A4
SCHEMBL7211335 0.79 ITGB3 (0.37) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7217641 0.79 MEN1 (0.37) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7395444 0.76 SYK (0.35) ITGB3ITGAVITGA2BALDH1A1CYP3A4
SCHEMBL7394925 0.76 ITGB3 (0.35) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL7211277 0.75 SYK (0.40) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7211497 0.74 ITGB3 (0.52) ITGB3ITGAVITGA2BGRIN2BALDH1A1
SCHEMBL7216488 0.72 PSMB1 (0.33) ITGB3ITGAVITGA2BMAPTALDH1A1

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 478/4885ITGA2B 534/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885

“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.