Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349112

SCHEMBL3349112

SCHEMBL3349112

CCOC(=O)c1cc(CO)cc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA7 P43166 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA14 Q9ULX7 3/20 0.53
▸ PRKCA P17252 3/20 0.49
▸ PRKCD Q05655 3/20 0.49
▸ CYP4F2 P78329 1/20 0.48
▸ CYP4A11 Q02928 1/20 0.48
▸ CREBBP Q92793 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TPMT P51580 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL341606 0.93 CA12 (0.60) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL7234951 0.89 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL3327442 0.89 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL1758531 0.88 CYP2C19 (0.57) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL264861 0.87 CYP2C19 (0.64) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL22660964 0.87 CYP2C19 (0.68) CYP2C19CYP2C9CA12CA1CA2
Ammonia Solution, Strong SCHEMBL28298874 0.87 CYP2C19 (0.68) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL14209370 0.86 CA12 (0.53) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL13307492 0.85 CA12 (0.51) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL4652540 0.85 CYP2C19 (0.57) CYP2C19CYP2C9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 — — US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 — — US disclosed
EP-1713791-B1 5-FLUORO- AND CHLORO-PYRIDIN-2-YL-TETRAZOLES AS LIGANDS OF THE METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2008-04-30 — — EP disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 — — CN disclosed
CN-101090883-A Substituted hydroxyethylamines ELAN PHARM INC (US) 2007-12-19 — — CN disclosed
US-20070255061-A1 5-Fluoro-, Chloro-and Cyano-Pyridin-2-Yl-Tetrazoles as Ligands of the Metabotropic Glutamate Receptor-5 ASTRAZENECA AB (SE) 2007-11-01 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 — — US disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005066155-A1 5-FLUORO-, CHLORO- AND CYANO-PYRIDIN-2-YL-TETRAZOLES AS LIGANDS OF THE METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2005-07-21 — — WO disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 — — EP disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 — — CN disclosed
EP-1309730-A2 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES Nanogen Recognomics GmbH (DE) 2003-05-14 — — EP disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 — — US disclosed
WO-2002014558-A2 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2002-02-21 — — WO disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 — — 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 (5 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP CYP2C19 951/4885CYP2C9 999/4885CA12 330/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP CYP2C19 1075/4885CYP2C9 1957/4885CA12 1161/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CYP2C19 1374/4885CYP2C9 2581/4885CA12 1162/4885
US-20070255061-A1 5-Fluoro-, Chloro-and Cyano-Pyridin-2-Yl-Tetrazoles as Ligands of the Metabotropic Glutamate Receptor-5 GRM5, GRIK5, GRM1 CYP2C19 1511/4885CYP2C9 1594/4885CA12 3299/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 CYP2C19 3144/4885CYP2C9 3345/4885CA12 3954/4885

“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.