Sugi Predict

Sugi Predict / Compounds / SCHEMBL3590136

SCHEMBL3590136

SCHEMBL3590136

CCOC(=O)c1ccc(N2CC[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c(OC)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HTT P42858 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
SCHEMBL3575973 0.90 CYP3A4 (0.42) CYP3A4DRD2PIM1PIM3PIM2
SCHEMBL3582142 0.88 CYP3A4 (0.37) CYP3A4DRD2DRD3PIM1PIM3
SCHEMBL3578342 0.86 MEN1 (0.35) OPRK1MEN1KMT2ADRD2DRD3
SCHEMBL3577931 0.78 KCNH2 (0.33) CYP3A4DRD2DRD3ALDH1A1KDM4E
SCHEMBL4510774 0.75 PIM1 (0.46) OPRK1DRD2PIM1PIM3PIM2
SCHEMBL482753 0.72 CYP3A4 (0.72) CYP3A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL3590072 0.72 CYP3A4 (0.57) CYP3A4ALDH1A1KDM4EHPGDLMNA
SCHEMBL17494299 0.71 KCNH2 (0.58) —
SCHEMBL4510781 0.70 DRD2 (0.43) OPRK1DRD2DRD3PIM1PIM3
SCHEMBL4506138 0.70 PIM1 (0.43) OPRK1DRD2DRD3PIM1PIM3

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-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 — — US disclosed
US-7626029-B2 Into a difluorobenzoic acid, for producting quinolonecarboxylic acid serving as synthetic antibacterial agent, medicament, agricultural chemical, or veterinary drug; ionic liquid solvents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-12-01 — — US disclosed
US-20060122396-A1 Method of selectively introducing amino substituent DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-08 — — US disclosed
EP-1634879-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-15 — — EP 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-20060122396-A1 Method of selectively introducing amino substituent ASNS, NQO2, DDC CYP3A4 300/4885OPRK1 1324/4885MEN1 4072/4885
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT ASNS, DDC, NQO2 CYP3A4 140/4885OPRK1 1088/4885MEN1 3971/4885

“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.