SCHEMBL1208006

SCHEMBL1208006

Cn1cc(CNC(=O)OC2CCc3c(sc(NC(=O)C=Cc4cccs4)c3C#N)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.48
TNF P01375 2/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
PTPN5 P54829 1/20 0.42
POLB P06746 8/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
RECQL P46063 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL1210462 0.90 NOD1 (0.47) NOD1TNFMEN1KMT2APTPN5
SCHEMBL1210037 0.90 NOD1 (0.48) NOD1TNFMEN1KMT2APTPN5
SCHEMBL1210125 0.90 MEN1 (0.51) NOD1TNFMEN1KMT2APTPN5
SCHEMBL1209667 0.89 PTPN5 (0.41) MEN1KMT2APTPN5POLBALDH1A1
SCHEMBL1209380 0.89 NOD1 (0.46) NOD1TNFMEN1KMT2APTPN5
SCHEMBL12882626 0.88 ALDH1A1 (0.41) MEN1KMT2APTPN5POLBALDH1A1
SCHEMBL1207727 0.88 NOD1 (0.46) NOD1TNFMEN1KMT2APTPN5
SCHEMBL1209115 0.88 ALDH1A1 (0.54) MEN1KMT2APTPN5POLBALDH1A1
SCHEMBL1206998 0.88 ALDH1A1 (0.41) MEN1KMT2APTPN5POLBALDH1A1
SCHEMBL1209026 0.88 NOD1 (0.47) NOD1TNFMEN1KMT2APTPN5

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 NOD1 2383/4885TNF 170/4885MEN1 4667/4885

“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.