Sugi Predict

Sugi Predict / Compounds / SCHEMBL5908360

SCHEMBL5908360

SCHEMBL5908360

CCOC(=O)CCC(=CN(C)C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.49
▸ CYP1A2 P05177 1/20 0.40
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GLO1 Q04760 1/20 0.36

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
SCHEMBL5901415 0.85 CYP2C9 (0.51) CYP2C9MGAMGAASIMGAM2
SCHEMBL5901419 0.85 CYP2C9 (0.51) CYP2C9MGAMGAASIMGAM2
SCHEMBL15786135 0.81 CYP2C9 (0.55) CYP2C9MGAMGAASIMGAM2
SCHEMBL6015034 0.81 CYP2C9 (0.55) CYP2C9MGAMGAASIMGAM2
SCHEMBL1325598 0.81 CYP2C9 (0.55) CYP2C9MGAMGAASIMGAM2
SCHEMBL4737777 0.79 CYP2C9 (0.46) CYP2C9CYP1A2MGAMGAASI
SCHEMBL22042136 0.76 CYP2C9 (0.50) CYP2C9MGAMGAASIMGAM2
Succinic Acid Diethyl Ester SCHEMBL11514685 0.76 GAA (0.57) CYP1A2MGAMGAASIMGAM2
SCHEMBL3409916 0.75 CYP2C9 (0.49) CYP2C9SMN1; SMN2ALDH1A1NPSR1GLO1
SCHEMBL10609078 0.75 CYP2C9 (0.49) CYP2C9MGAMGAASIMGAM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056917-B2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 — — US disclosed
US-20060106034-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-18 — — US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 — — US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 — — EP disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 — — 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 (3 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-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 CYP2C9 109/4885CYP1A2 122/4885MGAM 1263/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 CYP2C9 65/4885CYP1A2 148/4885MGAM 1695/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 CYP2C9 57/4885CYP1A2 225/4885MGAM 1151/4885

“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.