Sugi Predict

Sugi Predict / Compounds / SCHEMBL7216491

SCHEMBL7216491

SCHEMBL7216491

O=C([O-])CC(NC(=O)C[N+]1(CCc2nc3ccccc3[nH]2)C(=O)CNC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 15/20 0.40
▸ ITGAV P06756 15/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRIN2B Q13224 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ 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

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
SCHEMBL7211463 0.94 ITGB3 (0.41) ITGB3ITGAVITGA2BALDH1A1CYP1A2
SCHEMBL7974938 0.83 CASP1 (0.36) —
SCHEMBL7212579 0.82 CTSL (0.38) ALDH1A1CYP1A2
SCHEMBL7211648 0.81 ITGB3 (0.52) ITGB3ITGAVITGA2BHDAC3HDAC4
SCHEMBL7216436 0.80 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217644 0.80 CTSL (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7211505 0.80 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1CYP1A2
SCHEMBL7211516 0.79 CASP1 (0.35) GAA
SCHEMBL7217673 0.78 ALOX15 (0.31) ITGB3ITGAVHDAC3HDAC4HDAC1
SCHEMBL7217610 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5

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.