SCHEMBL1208697

SCHEMBL1208697

Cc1nn(C)cc1CNC(=O)OCC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 11/20 0.41
POLB P06746 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
PTPN5 P54829 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1208770 0.92 ALDH1A1 (0.40) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1209183 0.91 ALDH1A1 (0.42) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL12895265 0.91 KMT2A (0.36) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1209248 0.90 MAPT (0.41) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1208579 0.88 ALDH1A1 (0.45) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1207887 0.87 ALDH1A1 (0.44) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1209847 0.87 ALDH1A1 (0.44) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1208660 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1207170 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1207854 0.85 ALDH1A1 (0.44) ALDH1A1MAPTPOLBMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US 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 316/4885MAPT 865/4885POLB 1250/4885

“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.