SCHEMBL1209049

SCHEMBL1209049

CC(C)CN(C)C(=O)OCC1CCc2c(sc(NC(=O)C=Cc3cccnc3)c2C#N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.47
ALDH1A1 P00352 10/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
TGFBR1 P36897 1/20 0.41
GAA P10253 1/20 0.41
GCGR P47871 4/20 0.41
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 3/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL12882960 1.00 PTPN5 (0.47) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL1207017 0.93 PTPN5 (0.45) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL12895456 0.93 PTPN5 (0.45) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL12895432 0.92 PTPN5 (0.49) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL1207629 0.92 PTPN5 (0.51) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL1208369 0.92 PTPN5 (0.49) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL12882802 0.92 PTPN5 (0.51) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL1208264 0.91 PTPN5 (0.51) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL1219838 0.91 PTPN5 (0.51) PTPN5ALDH1A1MAPTLMNATGFBR1
SCHEMBL12895274 0.91 PTPN5 (0.51) PTPN5ALDH1A1MAPTLMNATGFBR1

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 1174/4885ALDH1A1 316/4885MAPT 865/4885

“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.