SCHEMBL4628158

SCHEMBL4628158

CO[C@@](C)(CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 1/20 0.50
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CPT2 P23786 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACLY P53396 3/20 0.33
TET2 Q6N021 1/20 0.32
FFAR3 O14843 1/20 0.30

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
SCHEMBL416276 1.00 CYP2C19 (0.50) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL3713463 1.00 CYP2C19 (0.50) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL28838440 0.83 CYP2D6 (0.36) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL13688692 0.83 HMGCR (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL11180724 0.81 HMGCR (0.42) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL19031719 0.78 CYP2C19 (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL18138374 0.78 CYP2C19 (0.43) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL823261 0.77
SCHEMBL535726 0.77
SCHEMBL7200959 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558597-B1 CONTINUOUS PROCESS FOR THE PRODUCTION OF OPTICALLY PURE (S)-BETA HYDROXY-GAMMA-BUTYROLACTONE SK HOLDINGS CO LTD (KR) 2008-05-07 EP disclosed
US-20070093660-A1 Method for the production of statins RATIOPHARM GMBH (DE) 2007-04-26 US disclosed
EP-1558597-A4 CONTINUOUS PROCESS FOR THE PRODUCTION OF OPTICALLY PURE (S)-BETA HYDROXY-GAMMA-BUTYROLACTONE SK CORP (KR) 2006-06-07 EP disclosed
US-20060052617-A1 Continuous process for the production of optically pure (s)-beta-hydroxy-y-butyrolactone SK CORPORATION 2006-03-09 US disclosed
EP-1558597-A2 CONTINUOUS PROCESS FOR THE PRODUCTION OF OPTICALLY PURE (S)-BETA HYDROXY-GAMMA-BUTYROLACTONE SK Corporation (KR) 2005-08-03 EP disclosed
WO-2004026223-A2 CONTINUOUS PROCESS FOR THE PRODUCTION OF OPTICALLY PURE (S)-β HYDROXY-Ϝ-BUTYROLACTONE SK CORPORATION (KR) 2004-04-01 WO disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
EP-0765876-B1 Process for the preparation of (s)-beta-hydroxy-gamma-butyrolactone SIGMA TAU IND FARMACEUTI (IT) 1998-12-09 EP disclosed
US-5714619-A Process for the preparation of (S)-β-hydroxy-γ-butyrolactone SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1998-02-03 US disclosed
EP-0765876-A1 Process for the preparation of (s)-beta-hydroxy-gamma-butyrolactone Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1997-04-02 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-20070093660-A1 Method for the production of statins HMGCR, CYP11A1, CYP51A1 CYP2C19 121/4885HIF1A 402/4885TSHR 3911/4885
US-20060052617-A1 Continuous process for the production of optically pure (s)-beta-hydroxy-y-butyrolactone HSD3B2, HSD3B1, HAO2 CYP2C19 44/4885HIF1A 789/4885TSHR 4642/4885

“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.