SCHEMBL12895665

SCHEMBL12895665

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(COC(=O)NCc1cncs1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.43
ALOX15 P16050 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN5 P54829 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1208368 0.91 ALDH1A1 (0.43) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1208540 0.89 ALDH1A1 (0.46) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1209820 0.89 ALDH1A1 (0.46) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1209448 0.89 ALDH1A1 (0.48) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1208210 0.89 ALDH1A1 (0.43) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1207711 0.89 ALDH1A1 (0.51) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1209347 0.89 ALDH1A1 (0.44) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1209457 0.89 ALDH1A1 (0.46) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1209361 0.88 ALDH1A1 (0.44) ALDH1A1MAPTALOX15RAB9ANPC1
SCHEMBL1208449 0.88 ALDH1A1 (0.45) ALDH1A1MAPTALOX15RAB9ANPC1

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 865/4885ALOX15 1421/4885

“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.