SCHEMBL1209017

SCHEMBL1209017

CC(CC(=O)Nc1sc2c(c1C#N)CCC(COC(=O)NCCc1cccnc1)C2)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GCGR P47871 1/20 0.41
MAPT P10636 7/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MCL1 Q07820 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.39
PTPN5 P54829 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL14292971 0.94 L3MBTL1 (0.41) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1209262 0.93 L3MBTL1 (0.49) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1209013 0.92 ALDH1A1 (0.43) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1209740 0.90 ALDH1A1 (0.43) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1207120 0.90 L3MBTL1 (0.42) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1207507 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1209700 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL14292412 0.87 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTPOLBMEN1
SCHEMBL1209762 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1GCGRMAPTPOLB
SCHEMBL1209445 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1GCGRMAPTPOLB

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 2 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

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 1169/4885GCGR 4679/4885

“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.