SCHEMBL12895467

SCHEMBL12895467

CCOc1ccccc1CCC(=O)Nc1sc2c(c1N)CCC(OC(=O)NCc1cc(C)on1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
MAPT P10636 8/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GLS O94925 1/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14293174 0.90 ALDH1A1 (0.39) TP53MAPTHSD17B10THRBLMNA
SCHEMBL1208781 0.90 ALDH1A1 (0.47) TP53MAPTHSD17B10THRBLMNA
SCHEMBL14293352 0.89 THRB (0.39) TP53MAPTTHRBLMNAALDH1A1
SCHEMBL14293179 0.89 ADORA2A (0.39) TP53MAPTTHRBALDH1A1KMT2A
SCHEMBL14292404 0.88 MAPT (0.38) TP53MAPTTHRBLMNAALDH1A1
SCHEMBL14292411 0.88 MAPT (0.38) TP53MAPTTHRBLMNAALDH1A1
SCHEMBL14292409 0.88 TP53 (0.37) TP53MAPTTHRBLMNAALDH1A1
SCHEMBL14292407 0.87 THRB (0.39) TP53MAPTHSD17B10THRBLMNA
SCHEMBL14293350 0.86 MAPT (0.37) TP53MAPTTHRBLMNAKMT2A
SCHEMBL14293346 0.86 MAPT (0.38) TP53MAPTTHRBLMNAALDH1A1

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 TP53 46/4885MAPT 865/4885HSD17B10 1786/4885

“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.