SCHEMBL20137869

SCHEMBL20137869

COc1cccc(C=Cc2[nH]c(=S)[nH]c(=O)c2C#N)c1OCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 9/20 0.70
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.38
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
NFE2L2 Q16236 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL20068065 1.00 ACMSD (0.70) ACMSDLMNAKMT2ACTNNB1TCF7L2
SCHEMBL20068050 0.91 ACMSD (0.84) ACMSDKMT2ANFE2L2POLB
SCHEMBL29529176 0.91 ACMSD (0.84) ACMSDKMT2ANFE2L2POLB
SCHEMBL20137807 0.91 ACMSD (0.84) ACMSDKMT2ANFE2L2POLB
SCHEMBL20137895 0.90 ACMSD (0.68) ACMSDKMT2ANFE2L2ALDH1A1CYP1A2
SCHEMBL20068017 0.90 ACMSD (0.68) ACMSDKMT2ANFE2L2ALDH1A1CYP1A2
SCHEMBL20068152 0.87 ACMSD (0.69) ACMSDKMT2ANFE2L2ALDH1A1POLB
SCHEMBL23696631 0.86 ACMSD (0.70) ACMSDLMNAKMT2ANFE2L2ALDH1A1
SCHEMBL20068211 0.85 ACMSD (0.69) ACMSDLMNAKMT2ANFE2L2ALDH1A1
SCHEMBL20068069 0.85 ACMSD (0.68) ACMSDKMT2ANFE2L2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US claimed
EP-3526199-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2022-04-13 EP disclosed
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885LMNA 2315/4885KMT2A 1353/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885LMNA 2315/4885KMT2A 1353/4885

“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.