SCHEMBL6466345

SCHEMBL6466345

COC[C](COC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DDAH1 O94760 1/20 0.31
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
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
SCHEMBL6468084 0.86
SCHEMBL8925736 0.75 TSHR (0.33) TSHRALDH1A1HPGDCYP2C19MAPT
SCHEMBL8925749 0.75 TSHR (0.33) TSHRALDH1A1HPGDCYP2C19MAPT
SCHEMBL11150867 0.75
Methoxyacetic Acid SCHEMBL48842 0.73
Methoxyacetic Acid SCHEMBL2771714 0.71
Methoxyacetic Acid SCHEMBL5859212 0.71
Methoxyacetic Acid SCHEMBL2770038 0.71
Methoxyacetic Acid SCHEMBL5072152 0.71
Methoxyacetic Acid SCHEMBL570981 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. 2005-09-15 US claimed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP claimed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 WO claimed
US-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. 2005-09-15 US disclosed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP disclosed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors F7, HABP2, F13B TSHR 1538/4885ALDH1A1 1830/4885HPGD 2459/4885

“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.