SCHEMBL5645158

SCHEMBL5645158

O=C(C[S])NC(C(=O)O)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
GAA P10253 1/20 0.44
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.36
EEF2K O00418 1/20 0.36
CTSA P10619 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35

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
SCHEMBL5645167 0.84 CNR2 (0.50) CNR2GAACES2CES1LMNA
SCHEMBL8750846 0.76 MEN1 (0.47) CNR2GAACES2CES1LMNA
SCHEMBL6120380 0.76 MEN1 (0.47) CNR2GAACES2CES1LMNA
SCHEMBL2482538 0.73 GAA (0.45) CNR2GAACES2CES1LMNA
SCHEMBL23886691 0.72 GAA (0.44) CNR2GAACES2CES1LMNA
Hydrochloric Acid SCHEMBL2485774 0.72 GAA (0.44) CNR2GAACES2CES1LMNA
SCHEMBL23886688 0.72 GAA (0.44) CNR2GAACES2CES1LMNA
SCHEMBL23886587 0.72 CTSS (0.49) CNR2GAA
SCHEMBL30370355 0.72 CTSS (0.49) CNR2GAA
SCHEMBL30370648 0.72 CTSS (0.49) CNR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226943-B2 Benzothiepine ileal bile acid transport inhibitors ASTRAZENECA AB (SE) 2007-06-05 US disclosed
EP-1427718-B1 BENZOTHIEPINE ILEAL BILE ACID TRANSPORT INHIBOTORS ASTRAZENECA AB (SE) 2006-11-15 EP disclosed
US-20050043393-A1 Benzothiepine ileal bile acid transport inhibitors ASTRAZENECA AB 2005-02-24 US disclosed
EP-1427718-A1 BENZOTHIEPINE ILEAL BILE ACID TRANSPORT INHIBOTORS AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003022830-A1 BENZOTHIEPINE ILEAL BILE ACID TRANSPORT INHIBITORS ASTRAZENECA AB (SE) 2003-03-20 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-20050043393-A1 Benzothiepine ileal bile acid transport inhibitors SLC10A2, SLC10A1, ABCB11 CNR2 2643/4885GAA 1122/4885CES2 463/4885

“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.