SCHEMBL20150557

SCHEMBL20150557

CC(C)OCC1SC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 2/20 0.44
CISD1 Q9NZ45 2/20 0.44
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40
CA2 P00918 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
FFAR1 O14842 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ESR2 Q92731 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL20150476 0.76 TSHR (0.48) TSHRKDM4EHTTMAOACISD1
SCHEMBL8169881 0.75 MAPT (0.60) TSHRMAOACISD1MAOBALDH1A1
SCHEMBL12765428 0.75 TSHR (0.52) TSHRKDM4EHTTMAOACISD1
SCHEMBL20150244 0.74 TSHR (0.47) TSHRKDM4EHTTMAOACISD1
SCHEMBL8811471 0.72 TSHR (0.48) TSHRKDM4EHTTMAOACISD1
SCHEMBL264929 0.71
SCHEMBL16924077 0.71
SCHEMBL8840901 0.71 TSHR (0.61) TSHRKDM4EHTTMAOACISD1
SCHEMBL14268250 0.70 TSHR (0.47) TSHRKDM4EHTTMAOACISD1
SCHEMBL11169825 0.68 TSHR (0.53) TSHRKDM4EHTTMAOACISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TSHR 4829/4885KDM4E 1110/4885HTT 1861/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 TSHR 4829/4885KDM4E 1110/4885HTT 1861/4885

“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.