SCHEMBL972285

SCHEMBL972285

C/C(=C\c1cc(C2OCCO2)cs1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
TBXAS1 P24557 2/20 0.32
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL972287 1.00 AKR1C3 (0.33) AKR1C3TBXAS1RARBRARGRXRA
SCHEMBL3403756 0.77 HCAR2 (0.39)
SCHEMBL3403760 0.77 HCAR2 (0.39)
SCHEMBL9710910 0.73 AKR1C3 (0.53) AKR1C3TBXAS1RXRARXRBRXRG
SCHEMBL9710913 0.73 AKR1C3 (0.53) AKR1C3TBXAS1RXRARXRBRXRG
SCHEMBL29088405 0.71 RARB (0.35) AKR1C3TBXAS1RARBRARGRXRA
SCHEMBL971575 0.71 TBXAS1 (0.34) AKR1C3TBXAS1
SCHEMBL971576 0.71 TBXAS1 (0.34) AKR1C3TBXAS1
SCHEMBL974049 0.71 KDM4E (0.46)
SCHEMBL973950 0.69 AKR1C3 (0.43) AKR1C3TBXAS1RARBRARGRXRA

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 AKR1C3 2573/4885TBXAS1 1126/4885RARB 791/4885

“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.