SCHEMBL973949

SCHEMBL973949

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
HTT P42858 1/20 0.33
TBXAS1 P24557 7/20 0.33
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
APEX1 P27695 5/20 0.31
EGFR P00533 1/20 0.31
MAPT P10636 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
SCHEMBL973950 1.00 AKR1C3 (0.43) AKR1C3HTTTBXAS1RARBRARG
SCHEMBL379474 0.75 AKR1C3 (0.50) AKR1C3TBXAS1RXRARXRBRXRG
SCHEMBL1432882 0.75 AKR1C3 (0.38) AKR1C3TBXAS1RARBRARGRXRA
SCHEMBL8416371 0.75 TUBB4A (0.42) AKR1C3TBXAS1APEX1
SCHEMBL379475 0.75 AKR1C3 (0.50) AKR1C3TBXAS1RXRARXRBRXRG
SCHEMBL12919403 0.74 GLA (0.40) HTTMAPT
SCHEMBL346857 0.72
SCHEMBL972621 0.72 KDM4E (0.52) HTTMAPT
SCHEMBL3400374 0.71 HCAR2 (0.46) AKR1C3APEX1MAPT
SCHEMBL3400369 0.71 HCAR2 (0.46) AKR1C3APEX1MAPT

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 2573/4885HTT 372/4885TBXAS1 1126/4885

“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.