SCHEMBL1207008

SCHEMBL1207008

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)NCc1nc(C)cs1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1209401 0.92 MAPT (0.44) MAPTHTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL1208658 0.90 ALDH1A1 (0.45) MAPTHTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL1209570 0.90 MAPT (0.43) MAPTHTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL14292920 0.90 MAPT (0.38) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL1207465 0.88 MAPT (0.47) MAPTALDH1A1ALOX15NPC1MAPK1
SCHEMBL1207555 0.88 MAPT (0.49) MAPTALDH1A1ALOX15NPC1MAPK1
SCHEMBL1207057 0.87 MAPT (0.45) MAPTHTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL1208598 0.87 MAPT (0.44) MAPTHTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL1209701 0.86 MAPT (0.42) MAPTHTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL1208781 0.86 ALDH1A1 (0.47) MAPTHTTSMN1; SMN2ALDH1A1ALOX15

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 MAPT 865/4885HTT 798/4885SMN1; SMN2 2135/4885

“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.