Sugi Predict

Sugi Predict / Compounds / SCHEMBL308172

SCHEMBL308172

SCHEMBL308172

CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cnc(C)c(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1.[NaH]

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.71
▸ ACACA Q13085 2/20 0.71
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ CASP7 P55210 1/20 0.39

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
SCHEMBL10252405 0.99 ACACB (0.72) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL308171 0.94 ACACB (0.67) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL308799 0.93 ACACB (0.82) ACACBACACA
SCHEMBL308841 0.91 ACACB (0.85) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL309737 0.90 ACACB (0.86) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL308843 0.90 ACACB (0.85) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL308268 0.89 ACACB (0.69) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL308842 0.87 ACACB (0.77) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL13372777 0.87 ACACB (0.66) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL308180 0.85 ACACB (0.61) ACACBACACAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 — — EP claimed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 — — US claimed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 — — EP claimed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 — — WO claimed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 — — US claimed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 — — US disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 — — 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 (1 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 ACACB 713/4885ACACA 470/4885KDM4E 4093/4885

“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.