SCHEMBL1210779

SCHEMBL1210779

CCN(CC)C(=O)OC1CCc2c(sc(NC(=O)C=Cc3cccs3)c2C#N)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NOD1 Q9Y239 3/20 0.54
TNF P01375 2/20 0.54
PTPN5 P54829 1/20 0.51
POLB P06746 6/20 0.46
GCGR P47871 1/20 0.45
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
ALDH1A1 P00352 8/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1209587 0.93 MEN1 (0.53) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1207377 0.91 MEN1 (0.56) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1210463 0.89 PTPN5 (0.53) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1207784 0.88 MEN1 (0.53) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1207430 0.88 NOD1 (0.53) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1209210 0.88 MEN1 (0.51) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1210758 0.88 MEN1 (0.51) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1210486 0.88 MEN1 (0.53) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1209285 0.87 NOD1 (0.56) MEN1KMT2ANOD1TNFPTPN5
SCHEMBL1209609 0.87 PTPN5 (0.50) MEN1KMT2APTPN5POLBGCGR

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 MEN1 4667/4885KMT2A 2064/4885NOD1 2383/4885

“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.