SCHEMBL1208159

SCHEMBL1208159

Cc1cc(CNC(=O)OCC2CCc3c(sc(NC(=O)C=Cc4cccs4)c3C#N)C2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TNF P01375 2/20 0.46
NOD1 Q9Y239 2/20 0.46
PTPN5 P54829 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAPDH P04406 1/20 0.45
MAPT P10636 5/20 0.42
HSD17B10 Q99714 4/20 0.42
TP53 P04637 3/20 0.42
POLB P06746 3/20 0.42
CASP3 P42574 1/20 0.42
ESR2 Q92731 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1209410 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209957 0.90 NOD1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207401 0.89 NOD1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207947 0.88 NOD1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207732 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209241 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207718 0.87 NOD1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208893 0.87 PTPN5 (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207200 0.87 NOD1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208004 0.87 NOD1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1

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 ALDH1A1 316/4885SMN1; SMN2 2135/4885KDM4E 2054/4885

“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.