SCHEMBL393163

SCHEMBL393163

COC(=O)[C@H]1[C@@H](NC(=O)OCc2ccccc2)[C@@H]2CC[C@H]1O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PPM1B O75688 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PPP1CC P36873 1/20 0.46
▸ EPHX1 P07099 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA1 P00915 1/20 0.44

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
SCHEMBL8759021 1.00 CPB1 (0.57) CPB1ALDH1A1GAATSHRCYP2C9
SCHEMBL9875420 1.00 CPB1 (0.57) CPB1ALDH1A1GAATSHRCYP2C9
SCHEMBL25641902 1.00 CPB1 (0.57) CPB1ALDH1A1GAATSHRCYP2C9
SCHEMBL4386438 0.89 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRCYP1A2
SCHEMBL3223998 0.89 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRCYP1A2
SCHEMBL25641905 0.89 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRCYP1A2
SCHEMBL395240 0.81 CPB1 (0.60) CPB1ALDH1A1GAATSHRCYP2C9
SCHEMBL394783 0.81 CPB1 (0.60) CPB1ALDH1A1GAATSHRCYP2C9
SCHEMBL394782 0.81 CPB1 (0.60) CPB1ALDH1A1GAATSHRCYP2C9
SCHEMBL9875439 0.81 ALDH1A1 (0.51) CPB1ALDH1A1GAATSHRSMN1; SMN2

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-8101800-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20110166344-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2011-07-07 — — US disclosed
US-7939524-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2011-05-10 — — US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — 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-20110166344-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 CPB1 3198/4885ALDH1A1 205/4885GAA 2633/4885
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 CPB1 3693/4885ALDH1A1 143/4885GAA 4378/4885

“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.

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