SCHEMBL1208316

SCHEMBL1208316

CC(CC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)NCc1cccn1C)C2)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 9/20 0.41
POLB P06746 4/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
GCGR P47871 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 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
SCHEMBL1209725 0.90 MAPT (0.40) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1207854 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1207109 0.89 MAPT (0.42) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1208740 0.89 MAPT (0.42) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1208577 0.88 MAPT (0.44) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1209436 0.86 MAPT (0.41) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1209468 0.86 GCGR (0.42) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1208984 0.85 MAPT (0.44) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1208817 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL1209632 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1RAB9ANPC1MAPT

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
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US 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 316/4885L3MBTL1 1169/4885RAB9A 2531/4885

“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.