SCHEMBL17548487

SCHEMBL17548487

O=c1cc(-c2cccs2)[nH]c(=S)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.54
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PIM1 P11309 1/20 0.47
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MPO P05164 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
MAPT P10636 1/20 0.43
LPO P22079 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
SCHEMBL8799476 0.73 KDM4E (0.44) TAS2R38PARP1KDM4EPIM1KMT2A
SCHEMBL28606824 0.71 NOTUM (0.48) PARP1KDM4EPIM1GAAGFER
SCHEMBL1006272 0.71 TAS2R38 (1.00) TAS2R38KDM4EGAAGFERMPO
SCHEMBL4024470 0.68 GAA (0.57) PARP1KDM4EPIM1GAAGFER
SCHEMBL3595434 0.68 TOP1 (0.56) PARP1KDM4EPIM1RAB9AALDH1A1
SCHEMBL6936602 0.68 TAS2R38 (0.68) TAS2R38MPOALDH1A1CDK1GSK3B
SCHEMBL16296698 0.67 PIM1 (0.59) KDM4EPIM1GAAKMT2AMEN1
SCHEMBL1549501 0.67 PARP1 (0.62) PARP1KDM4EPIM1GAAKMT2A
SCHEMBL7290775 0.67 HPGD (0.58) PARP1KDM4EGAAKMT2AMEN1
SCHEMBL4408790 0.67 TAS2R38 (0.47) TAS2R38PARP1KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023227666-A1 PYRIMIDINONE COMPOUNDS FOR TREATING ACUTE INFLAMMATION TES PHARMA S.R.L. (IT) 2023-11-30 WO disclosed
US-11254644-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2022-02-22 US disclosed
EP-3186242-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-10-06 EP disclosed
US-20200207721-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2020-07-02 US 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-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
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 US disclosed
WO-2016030534-A1 INHIBITORS OF α-AMINO-β-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 WO 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 (4 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-20200207721-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 TAS2R38 4808/4885PARP1 1532/4885KDM4E 1110/4885
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 TAS2R38 4808/4885PARP1 1532/4885KDM4E 1110/4885
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 TAS2R38 4808/4885PARP1 1532/4885KDM4E 1110/4885
US-11254644-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase ACMSD, GLS, ALDH7A1 TAS2R38 4808/4885PARP1 1532/4885KDM4E 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.