SCHEMBL1207993

SCHEMBL1207993

N#Cc1c(NC(=O)C=Cc2cccs2)sc2c1CCC(OC(=O)N1CCCCC1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.51
TNF P01375 2/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 7/20 0.47
ALDH1A1 P00352 7/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NR0B1 P51843 1/20 0.45
TGFBR1 P36897 3/20 0.45
PTPN5 P54829 1/20 0.43
GAA P10253 2/20 0.41
ESR2 Q92731 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1210334 0.99 NOD1 (0.52) NOD1TNFMEN1KMT2APOLB
SCHEMBL1208953 0.98 NOD1 (0.52) NOD1TNFMEN1KMT2APOLB
SCHEMBL1210372 0.93 NOD1 (0.51) NOD1TNFMEN1KMT2APOLB
SCHEMBL1209953 0.92 NOD1 (0.50) NOD1TNFMEN1KMT2APOLB
SCHEMBL1210079 0.92 NOD1 (0.48) NOD1TNFMEN1KMT2APOLB
SCHEMBL1208007 0.91 NOD1 (0.52) NOD1TNFMEN1KMT2APOLB
SCHEMBL1208100 0.90 NOD1 (0.51) NOD1TNFMEN1KMT2APOLB
SCHEMBL1210452 0.90 NOD1 (0.49) NOD1TNFMEN1KMT2APOLB
SCHEMBL1209237 0.90 NOD1 (0.51) NOD1TNFMEN1KMT2APOLB
SCHEMBL1208091 0.89 NOD1 (0.54) NOD1TNFMEN1KMT2APOLB

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.