SCHEMBL12895451

SCHEMBL12895451

CCOc1ccccc1CCC(=O)Nc1sc2c(c1N)CCC(OC(=O)NCc1cnn(C)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
LMNA P02545 2/20 0.38
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
MAPT P10636 8/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
THRB P10828 2/20 0.36
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1206989 0.90 MAPT (0.43) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL14293348 0.89 LMNA (0.38) TP53LMNAALPLALPIALPG
SCHEMBL14292974 0.88 TP53 (0.45) TP53LMNAALPLALPIALPG
SCHEMBL14293179 0.87 ADORA2A (0.39) TP53ALPLALPIALPGMAPT
SCHEMBL14292407 0.86 THRB (0.39) TP53LMNAALPLALPIALPG
SCHEMBL14293350 0.86 MAPT (0.37) TP53LMNAALPLALPIALPG
SCHEMBL14292411 0.85 MAPT (0.38) TP53LMNAALPLALPIALPG
SCHEMBL14293346 0.84 MAPT (0.38) TP53LMNAMAPTKMT2AMEN1
SCHEMBL14293352 0.84 THRB (0.39) TP53LMNAMAPTKMT2AMEN1
SCHEMBL12895467 0.84 TP53 (0.38) TP53LMNAALPLALPIALPG

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 46/4885LMNA 3666/4885ALPL 3555/4885

“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.