SCHEMBL20530835

SCHEMBL20530835

CCS(=O)(=O)Oc1ccc2occc2c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.78
CA12 O43570 9/20 0.64
ALPI P09923 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
ALPL P05186 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
CYP2A6 P11509 1/20 0.41
FDFT1 P37268 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL10533060 0.83 CA2 (0.77) CA2CA12ALPICHRNB4CHRNA3
SCHEMBL1919685 0.77 CA2 (0.52) CA2CA12MRGPRX4CYP2A6FDFT1
SCHEMBL3791638 0.76 CA2 (0.51) CA2CA12CHRNB4CHRNA3CHRNA7
SCHEMBL28194347 0.74 CA2 (0.61) CA2CA12CYP2A6
SCHEMBL827016 0.73 CHRNB4 (0.56) CA2CA12CHRNB4CHRNA3CHRNA7
SCHEMBL17541419 0.73 MRGPRX4 (0.47) CA2CA12CHRNB4CHRNA3CHRNA7
SCHEMBL3541660 0.73 CHRNB4 (0.56) CA2CA12CHRNB4CHRNA3CHRNA7
SCHEMBL826624 0.73 CYP2A6 (0.55) CA2CA12CHRNB4CHRNA3CHRNA7
SCHEMBL576200 0.72 MMP2 (0.55) CA2CA12ALPIALPL
SCHEMBL3791985 0.71 CA2 (0.47) CA2CA12CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 EP disclosed
CN-1277472-C Selective herbicides comprising tetrazolinone derivatives BAYER CROPSCIENCE AG (DE) 2006-10-04 CN disclosed
CN-1575128-A Selective herbicides comprising tetrazolinone derivatives BAYER CROPSCIENCE AG (DE) 2005-02-02 CN 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 CA2 1404/4885CA12 715/4885ALPI 4579/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 CA2 1404/4885CA12 715/4885ALPI 4579/4885

“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.