SCHEMBL1209181

SCHEMBL1209181

Cc1nocc1CNC(=O)OCC1CCc2c(sc(NC(=O)C=Cc3ccoc3)c2C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.45
ALDH1A1 P00352 11/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
TGFBR1 P36897 1/20 0.40
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
NR0B1 P51843 1/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1207554 0.90 PTPN5 (0.45) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1208085 0.90 PTPN5 (0.41) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1209417 0.89 PTPN5 (0.45) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL12882718 0.89 PTPN5 (0.44) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1208310 0.89 PTPN5 (0.44) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1209571 0.89 PTPN5 (0.44) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1209582 0.89 ALDH1A1 (0.53) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1208126 0.89 ALDH1A1 (0.48) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1207947 0.87 NOD1 (0.45) PTPN5ALDH1A1NPC1RAB9AALOX15
SCHEMBL1208122 0.87 PTPN5 (0.53) PTPN5ALDH1A1NPC1RAB9AALOX15

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 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 (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 316/4885NPC1 4410/4885

“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.