SCHEMBL971576

SCHEMBL971576

CC(=Cc1cc(C2OCCO2)c([Si](C)(C)C)s1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.34
AKR1C3 P42330 1/20 0.31

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
SCHEMBL971575 1.00 TBXAS1 (0.34) TBXAS1AKR1C3
SCHEMBL12919402 0.81
SCHEMBL3404355 0.80 RXRA (0.36) TBXAS1
SCHEMBL3404357 0.80 RXRA (0.36) TBXAS1
SCHEMBL974276 0.79
SCHEMBL972285 0.71 AKR1C3 (0.33) TBXAS1AKR1C3
SCHEMBL972287 0.71 AKR1C3 (0.33) TBXAS1AKR1C3
SCHEMBL12919400 0.65 NPC1 (0.38)
SCHEMBL9710910 0.64 AKR1C3 (0.53) TBXAS1AKR1C3
SCHEMBL9710913 0.64 AKR1C3 (0.53) TBXAS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 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 (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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA TBXAS1 1126/4885AKR1C3 2573/4885

“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.