SCHEMBL17548431

SCHEMBL17548431

Cc1cccc(CSc2nc(-c3cccs3)cc(=O)[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.72
HPGD P15428 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
USP2 O75604 2/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.48
SCN9A Q15858 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL17548491 0.84 ACMSD (1.00) ACMSDMAPTRAB9AUSP2TSHR
SCHEMBL17548428 0.81 ACMSD (0.71) ACMSDHPGDALDH1A1MAPTL3MBTL1
SCHEMBL17548426 0.80 ACMSD (0.74) ACMSDHPGDALDH1A1MAPTL3MBTL1
SCHEMBL27787217 0.74 HPGD (0.74) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL26847241 0.74 HPGD (0.64) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL16910497 0.68 HPGD (0.73) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL18063501 0.68 HPGD (0.73) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15693606 0.67 OPRL1 (0.58) HPGDALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL15652863 0.67 RAB9A (0.71) HPGDALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10036328 0.67 XDH (0.57) ACMSDHPGDALDH1A1MAPTL3MBTL1

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
EP-3186242-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-10-06 EP disclosed
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2017-12-21 US disclosed
US-9708272-B2 Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2017-07-18 US disclosed
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 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-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885HPGD 59/4885ALDH1A1 171/4885
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885HPGD 59/4885ALDH1A1 171/4885

“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.