SCHEMBL4585878

SCHEMBL4585878

COC(=O)c1cc(O)cc(OCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
ATM Q13315 1/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
PTPRB P23467 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL8271753 0.90 ATM (0.51) CA12CA1CA2CA7CA9
SCHEMBL26771434 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL643593 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7991107 0.83 CA5A (0.53) LMNAHPGDPTPRBHSD17B10THRA
SCHEMBL713400 0.83 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL3487183 0.83 LDHA (0.48) CA12CA1CA2CA7CA9
SCHEMBL6977750 0.83 NOTUM (0.49) CA12CA1CA2CA7CA9
SCHEMBL2350986 0.82 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4585887 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2650746 0.81 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449599-B2 Phenyl carboxamide compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK + CO INC. (US) 2008-11-11 US disclosed
US-7449599-B2 Phenyl carboxamide compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK + CO INC. (US) 2008-11-11 US disclosed
US-7449599-B2 Phenyl carboxamide compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK + CO INC. (US) 2008-11-11 US disclosed
EP-1756040-A4 PHENYL CARBOXAMIDE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2008-04-30 EP disclosed
US-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
EP-1756040-A1 PHENYL CARBOXAMIDE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005113484-A1 PHENYL CARBOXAMIDE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-12-01 WO disclosed
WO-2005113484-A1 PHENYL CARBOXAMIDE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-12-01 WO disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 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 (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-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, APP CA12 2284/4885CA1 343/4885CA2 933/4885

“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.