SCHEMBL1209712

SCHEMBL1209712

CC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 8/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
GCGR P47871 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1209722 0.90 MAPT (0.46) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1207394 0.89 ALDH1A1 (0.48) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1209646 0.88 ALDH1A1 (0.46) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1209160 0.88 MAPT (0.47) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1207207 0.87 ALDH1A1 (0.50) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1207125 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1209551 0.86 L3MBTL1 (0.45) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1207750 0.86 ALDH1A1 (0.54) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1208816 0.86 GCGR (0.46) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL1208755 0.85 MAPT (0.43) ALDH1A1RAB9AL3MBTL1NPC1MAPT

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 316/4885RAB9A 2531/4885L3MBTL1 1169/4885

“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.