SCHEMBL1059009

SCHEMBL1059009

COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.49

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
SCHEMBL1057299 0.89 SPPL2A (0.52) TAS2R14
SCHEMBL1058578 0.87 SPPL2A (0.48) TAS2R14
SCHEMBL2578425 0.87 PTGES (0.53) PTGESTAS2R14TAS2R8
SCHEMBL5928397 0.87 PTGES (0.53) PTGESTAS2R14TAS2R8
SCHEMBL1053311 0.86 SPPL2A (0.48) TAS2R14
SCHEMBL1059096 0.86 SPPL2A (0.48) TAS2R14
SCHEMBL611342 0.86 SPPL2A (0.47) TAS2R14
SCHEMBL28778215 0.86 SPPL2A (0.47) TAS2R14
SCHEMBL1055848 0.84 SPPL2A (0.46) TAS2R14
SCHEMBL12621038 0.84 SPPL2A (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US 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 (2 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP PTGES 2229/4885TAS2R14 4673/4885TAS2R8 4842/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP PTGES 2229/4885TAS2R14 4673/4885TAS2R8 4842/4885

“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.