SCHEMBL1209798

SCHEMBL1209798

Cc1cc(CNC(=O)OCC2CCc3c(sc(NC(=O)C=Cc4cccs4)c3C#N)C2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.45
TNF P01375 2/20 0.45
PTPN5 P54829 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 7/20 0.43
POLB P06746 5/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TGFBR1 P36897 2/20 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
SCHEMBL1207600 0.91 NOD1 (0.47) NOD1TNFPTPN5MEN1KMT2A
SCHEMBL1209900 0.89 NOD1 (0.46) NOD1TNFPTPN5MEN1KMT2A
SCHEMBL1209257 0.89 PTPN5 (0.44) PTPN5MEN1KMT2AALDH1A1POLB
SCHEMBL1207359 0.88 ALDH1A1 (0.52) PTPN5MEN1KMT2AALDH1A1POLB
SCHEMBL1207570 0.88 NOD1 (0.47) NOD1TNFPTPN5MEN1KMT2A
SCHEMBL1208201 0.88 PTPN5 (0.43) PTPN5MEN1KMT2AALDH1A1POLB
SCHEMBL12882985 0.88 PTPN5 (0.43) PTPN5MEN1KMT2AALDH1A1POLB
SCHEMBL1210035 0.87 NOD1 (0.46) NOD1TNFPTPN5MEN1KMT2A
SCHEMBL1209957 0.87 NOD1 (0.47) NOD1TNFPTPN5MEN1KMT2A
SCHEMBL1209029 0.87 PTPN5 (0.44) PTPN5MEN1KMT2AALDH1A1POLB

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 170/4885PTPN5 1174/4885

“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.