Sugi Predict

Sugi Predict / Compounds / SCHEMBL2168517

SCHEMBL2168517

SCHEMBL2168517

CCOC(=O)CC(O)CI

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ ALOX15 P16050 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SOAT1 P35610 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
SCHEMBL2168521 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL606590 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.86 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5453913 0.84 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6156482 0.83 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CHRM1LMNA
SCHEMBL1427228 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3853840 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9743315 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28629828 0.80 NAAA (0.46) ALDH1A1TSHRTDP1LMNAKDM4E
SCHEMBL6154469 0.80 NAAA (0.46) ALDH1A1TSHRTDP1LMNAKDM4E

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694159-B A kind of preparation method of (S)-Esomeprazole ZHU QIDONG (CN) 2015-08-26 — — CN claimed
WO-2005005375-A1 METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS LANXESS DEUTSCHLAND GMBH (DE) 2005-01-20 — — WO claimed
CN-103739538-B A kind of preparation method of (S)-Olaxiracetam WENZHOU ZHICHUANG TECHNOLOGY CO., LTD. (CN) 2016-03-16 — — CN disclosed
CN-103694159-B A kind of preparation method of (S)-Esomeprazole ZHU QIDONG (CN) 2015-08-26 — — CN disclosed
EP-2341054-B1 Process for the synthesis of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS (SI) 2014-06-25 — — EP disclosed
EP-1937696-B1 PROCESS FOR THE SYNTHESIS OF HMG-CoA REDUCTASE INHIBITORS LEK PHARMACEUTICALS (SI) 2013-05-22 — — EP disclosed
US-8269001-B2 Process for the synthesis of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS D.D. (SI) 2012-09-18 — — US disclosed
EP-2341054-A1 Process for the synthesis of HMG-CoA reductase inhibitors LEK Pharmaceuticals d.d. (SI) 2011-07-06 — — EP disclosed
US-RE41226-E1 Compounds having reversible inhibiting activity of carnitine palmitoyl-transferase SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-04-13 — — US disclosed
US-RE40861-E1 Compounds having reversible inhibiting activity of carnitine palmitoyl-transferase Sigma-Tau Industrie Farmaceutiche Reunite S.p.A. (IT) 2009-07-21 — — US disclosed
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-12-04 — — US disclosed
EP-1077925-A1 COMPOUNDS HAVING REVERSIBLE INHIBITING ACTIVITY OF CARNITINE PALMITOYL-TRANSFERASE Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2001-02-28 — — EP disclosed
US-6140527-A Process for producing butyric ester derivatives KANEKA CORPORATION (JP) 2000-10-31 — — US disclosed
EP-0970947-A1 PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES KANEKA CORPORATION (JP) 2000-01-12 — — EP disclosed
WO-1999059957-A1 COMPOUNDS HAVING REVERSIBLE INHIBITING ACTIVITY OF CARNITINE PALMITOYL-TRANSFERASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1999-11-25 — — WO disclosed
EP-0381984-B1 3- or 4-substituted oxotremorine derivatives AMERICAN CYANAMID CO (US) 1995-04-19 — — EP disclosed
US-5089518-A 3- or 4-substituted oxotremorine derivatives and a method of treating cholinergic dysfunction therewith AMERICAN CYANAMID COMPANY (US) 1992-02-18 — — US disclosed
US-4952600-A TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMERICAN CYANAMID COMPANY (US) 1990-08-28 — — US disclosed
EP-0381984-A1 3- or 4-substituted oxotremorine derivatives AMERICAN CYANAMID COMPANY (US) 1990-08-16 — — EP disclosed
US-4937235-A Anticholinergic agents AMERICAN CYANAMID COMPANY (US) 1990-06-26 — — 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-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors HMGCR, COASY, LSS MGAM 619/4885GAA 324/4885SI 196/4885

“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.