Sugi Predict

Sugi Predict / Compounds / SCHEMBL6153660

SCHEMBL6153660

SCHEMBL6153660

CC(C)C1CC(=O)OC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ CASP8 Q14790 2/20 0.42
▸ CCKBR P32239 1/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ CTSF Q9UBX1 1/20 0.39
▸ PSEN1 P49768 4/20 0.37
▸ PSEN2 P49810 4/20 0.37
▸ APH1B Q8WW43 4/20 0.37
▸ NCSTN Q92542 4/20 0.37
▸ APH1A Q96BI3 4/20 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
Pregabalin SCHEMBL6345229 0.83 CACNA2D1 (0.43) CASP1CASP3CASP7CASP6CASP8
SCHEMBL10201348 0.81 MAPT (0.41) CASP1CASP3CASP7CASP6CASP8
SCHEMBL13139707 0.78 TMEM97 (0.41) CASP1CASP3CASP7CASP6CASP8
SCHEMBL12810022 0.78 CTSL (0.41) CCKBRAKT1LMNACTSVCTSL
SCHEMBL3469857 0.78 CTSL (0.41) CCKBRAKT1LMNACTSVCTSL
SCHEMBL12758002 0.77 SMN1; SMN2 (0.34) —
SCHEMBL12914558 0.77 CASP3 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL10987928 0.76 MMP1 (0.43) CASP1CASP3CASP7CASP6CASP8
SCHEMBL31710531 0.72 CASP1 (0.44) CASP1CASP3CASP7CASP6CASP8
SCHEMBL13776512 0.71 CASP3 (0.44) CASP1CASP3CASP7CASP6CASP8

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-6924377-B2 Process for preparing highly functionalized γ-butyrolactams and γ-amino acids WARNER-LAMBERT COMPANY (US) 2005-08-02 — — US disclosed
EP-1499583-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS Warner-Lambert Company LLC (US) 2005-01-26 — — EP disclosed
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-25 — — US disclosed
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-04 — — US disclosed
WO-2003093220-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 — — WO 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-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CASP1 4082/4885CASP3 4453/4885CASP7 4415/4885
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CASP1 4082/4885CASP3 4453/4885CASP7 4415/4885

“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.