SCHEMBL20138013

SCHEMBL20138013

CCOC(=O)c1cccc(-c2cccc(-c3[nH]c(=S)[nH]c(=O)c3C#N)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.71
▸ POLB P06746 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.40

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
SCHEMBL20068085 0.85 ACMSD (0.56) ACMSDPOLBKDM4EGLAATM
SCHEMBL20068019 0.83 ACMSD (1.00) ACMSDPOLB
SCHEMBL20068148 0.78 ACMSD (0.89) ACMSDPOLBGAA
SCHEMBL20304668 0.77 POLB (0.56) ACMSDPOLBKDM4EGLAATM
SCHEMBL20068126 0.76 ACMSD (0.80) ACMSDPOLB
SCHEMBL20068138 0.76 ACMSD (0.76) ACMSDPOLBKDM4EATMALDH1A1
SCHEMBL20068018 0.76 ACMSD (0.66) ACMSDPOLBHTTNPSR1MEN1
SCHEMBL20068141 0.76 ACMSD (0.83) ACMSDPOLB
SCHEMBL5937494 0.74 ACMSD (0.61) ACMSDPOLBKDM4EGLAALDH1A1
SCHEMBL29617015 0.74 TP53 (0.62) POLBALDH1A1TP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 1/4885POLB 2002/4885KDM4E 1110/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885POLB 2002/4885KDM4E 1110/4885

“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.

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