SCHEMBL4035376

SCHEMBL4035376

C=CC(=O)Nc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB11 A5LHX3 1/20 0.57
PSMA7 O14818 1/20 0.57
PSMB1 P20618 1/20 0.57
PSMA1 P25786 1/20 0.57
PSMA2 P25787 1/20 0.57
PSMA3 P25788 1/20 0.57
PSMA4 P25789 1/20 0.57
PSMB8 P28062 1/20 0.57
PSMB9 P28065 1/20 0.57
PSMA5 P28066 1/20 0.57
PSMB4 P28070 1/20 0.57
PSMB6 P28072 1/20 0.57
PSMB5 P28074 1/20 0.57
PSMB10 P40306 1/20 0.57
PSMB3 P49720 1/20 0.57
PSMB2 P49721 1/20 0.57
PSMA6 P60900 1/20 0.57
PSMA8 Q8TAA3 1/20 0.57
PSMB7 Q99436 1/20 0.57
TGM2 P21980 1/20 0.56

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
SCHEMBL28102497 0.86 TGM2 (0.56) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL5043916 0.81 TGM2 (0.63) TGM2EGFRITKALDH1A1SMN1; SMN2
SCHEMBL7954480 0.80 ALDH1A1 (0.53) HTTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL29032649 0.80 BCHE (0.59) BCHEHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL29663729 0.80 MAPT (0.69) EGFRHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL1381244 0.79 TGM2 (0.59) TGM2EGFRITKLMNA
SCHEMBL9864914 0.79 TGM2 (0.59) TGM2EGFRITKHTTALDH1A1
SCHEMBL5041890 0.79 TGM2 (0.69) TGM2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL6481952 0.78 EGFR (0.62) EGFRITK
SCHEMBL2090421 0.78 ATM (0.58) HTTALDH1A1SMN1; SMN2HPGDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP claimed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP claimed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
CN-110746355-B Phenylpyrazole compound, pharmaceutical composition, and preparation method and application thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed
CN-106008480-A Quinazoline compound containing cinnamamide structure and preparation method and application thereof 江西科技师范大学 2016-10-12 CN disclosed
CN-100497355-C Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1773310-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-04-18 EP disclosed
CN-1878781-A Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2006025924-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-03-09 WO disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
US-4940711-A Antihypertensive N-piperazinylalkanoylanilides RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1990-07-10 US disclosed
EP-0120558-A1 Antihypertensive N-piperazinylalkanoylanilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1984-10-03 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 (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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 PSMB11 1725/4885PSMA7 697/4885PSMB1 1337/4885

“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.