SCHEMBL20137786

SCHEMBL20137786

COc1cccc(C=Cc2[nH]c(=S)[nH]c(=O)c2C#N)c1OCc1nc(=O)o[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 8/20 0.59
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.33
BRD4 O60885 2/20 0.33
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
GSK3A P49840 1/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL20068004 1.00 ACMSD (0.59) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20137723 0.93 ACMSD (0.59) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20137724 0.93 ACMSD (0.59) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20138015 0.85 ACMSD (0.58) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20150575 0.85 ACMSD (0.58) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20068057 0.85 ACMSD (0.58) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20068152 0.85 ACMSD (0.69) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20068029 0.84 ACMSD (0.59) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20138038 0.84 ACMSD (0.59) ACMSDKMT2AHPGDKDM4EALDH1A1
SCHEMBL20137807 0.82 ACMSD (0.84) ACMSDKMT2AHPGDGAAGFER

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 3 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
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 1/4885KMT2A 1353/4885HPGD 59/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885KMT2A 1353/4885HPGD 59/4885

“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.