SCHEMBL1208243

SCHEMBL1208243

CN(CC(O)CO)C(=O)OC1CCc2c(sc(NC(=O)C=Cc3cccnc3)c2C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.42
TGFBR1 P36897 3/20 0.42
GCGR P47871 4/20 0.41
MAPT P10636 7/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 4/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL12895680 1.00 PTPN5 (0.42) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL12882831 0.90 PTPN5 (0.47) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL1207034 0.90 PTPN5 (0.47) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL1207017 0.90 PTPN5 (0.45) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL12895456 0.90 PTPN5 (0.45) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL1209390 0.89 PTPN5 (0.46) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL12895648 0.89 PTPN5 (0.46) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL14293341 0.88 MAPT (0.37) MAPTALDH1A1KDM4ENPSR1RAB9A
SCHEMBL1207453 0.88 PTPN5 (0.46) PTPN5TGFBR1GCGRMAPTLMNA
SCHEMBL1208371 0.88 PTPN5 (0.44) PTPN5TGFBR1GCGRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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 (1 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD PTPN5 1174/4885TGFBR1 1167/4885GCGR 4679/4885

“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.