SCHEMBL1209667

SCHEMBL1209667

Cn1cc(CNC(=O)OC2CCc3c(sc(NC(=O)C=Cc4ccsc4)c3C#N)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
TGFBR1 P36897 3/20 0.41
POLB P06746 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 8/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 6/20 0.37
RECQL P46063 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1208012 0.90 PTPN5 (0.46) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1208006 0.89 NOD1 (0.48) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1209791 0.89 TGFBR1 (0.42) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1208121 0.89 PTPN5 (0.44) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1207805 0.89 PTPN5 (0.40) PTPN5TGFBR1POLBSMN1; SMN2USP2
SCHEMBL1210031 0.88 PTPN5 (0.41) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1206998 0.88 ALDH1A1 (0.41) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1209505 0.88 PTPN5 (0.41) PTPN5TGFBR1POLBSMN1; SMN2USP2
SCHEMBL12882626 0.88 ALDH1A1 (0.41) PTPN5TGFBR1POLBSMN1; SMN2GAA
SCHEMBL1209887 0.88 PTPN5 (0.41) PTPN5TGFBR1POLBSMN1; SMN2USP2

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 1174/4885TGFBR1 1167/4885POLB 1250/4885

“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.