SCHEMBL23850227

SCHEMBL23850227

N#Cc1c(SCc2cccc(CC(=O)O)c2)[nH]c(=O)c(C#N)c1-c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 11/20 0.68
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP2C19 P33261 2/20 0.44
▸ PRNP P04156 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ BLM P54132 1/20 0.43

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
SCHEMBL23850235 0.85 ACMSD (0.64) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL31053422 0.81 ACMSD (1.00) ACMSDMEN1KMT2ANPSR1KDM4E
SCHEMBL17548496 0.81 ACMSD (1.00) ACMSDMEN1KMT2ANPSR1KDM4E
SCHEMBL24087884 0.80 ACMSD (0.44) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL24087931 0.80 ACMSD (0.47) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL26847391 0.80 ACMSD (0.47) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL24087930 0.79 ACMSD (0.49) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL26847375 0.78 KDM4E (0.44) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL23852405 0.78 ACMSD (0.52) ACMSDADORA2AADORA2BADORA1MEN1
SCHEMBL26847386 0.78 ACMSD (0.46) ACMSDADORA2AADORA2BADORA1MEN1

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
WO-2024240882-A1 HETEROARYL AND HETEROCYCLIC COMPOUNDS FOR USE IN TREATING ACUTE INFLAMMATION TES PHARMA S.R.L. (IT) 2024-11-28 — — WO disclosed
CN-118496217-A Inhibitors of alpha-amino-beta-carboxyhexadienoic acid semialdehyde decarboxylase TES制药有限责任公司 2024-08-16 — — CN disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 — — US disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 — — US disclosed
EP-3883930-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE Tes Pharma S.r.l. (IT) 2021-09-29 — — EP 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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885ADORA2A 954/4885ADORA2B 962/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885ADORA2A 954/4885ADORA2B 962/4885

“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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