SCHEMBL17548460

SCHEMBL17548460

Cc1nc(SCc2cccc(C(=O)O)c2)[nH]c(=O)c1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 13/20 0.74
GFER P55789 2/20 0.60
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL23043967 0.87 ACMSD (0.64) ACMSDGFERLMNAHPGDHTT
SCHEMBL17550089 0.85 ACMSD (1.00) ACMSDGFERTSHRKDM4E
SCHEMBL17548492 0.77 ACMSD (1.00) ACMSDRAB9A
SCHEMBL17548488 0.77 ACMSD (1.00) ACMSDRAB9A
SCHEMBL17548458 0.77 HPGD (0.69) ACMSDGFERTSHRLMNAHPGD
SCHEMBL32688002 0.76 ACMSD (0.70) ACMSDHTTSMN1; SMN2RAB9A
SCHEMBL23050907 0.76 LMNA (0.61) ACMSDGFERLMNAHPGDHTT
SCHEMBL17548489 0.75 ACMSD (1.00) ACMSDGFERTSHRLMNAHTT
SCHEMBL24087924 0.75 ACMSD (0.75) ACMSDGFERTSHRKDM4E
SCHEMBL31053417 0.75 ACMSD (0.75) ACMSDGFERTSHRKDM4E

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-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 1/4885GFER 596/4885TSHR 4829/4885
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885GFER 596/4885TSHR 4829/4885

“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.