SCHEMBL12895485

SCHEMBL12895485

COc1cccc(C(C)CC(=O)Nc2sc3c(c2N)CCC(COC(=O)NCc2c[nH]nc2C)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 9/20 0.32
TP53 P04637 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12895689 0.91 MEN1 (0.36) THRBALDH1A1MAPTTP53POLB
SCHEMBL1207354 0.91 ALDH1A1 (0.42) ALDH1A1MAPTTP53POLBLMNA
SCHEMBL12895479 0.89 THRB (0.34) THRBALDH1A1MAPTTP53RXFP1
SCHEMBL12895478 0.89 THRB (0.34) THRBALDH1A1MAPTRXFP1POLB
SCHEMBL14293244 0.86 THRB (0.35) THRBALDH1A1MAPTTP53RXFP1
SCHEMBL12895475 0.85 THRB (0.34) THRBALDH1A1MAPTTP53RXFP1
SCHEMBL12895476 0.85 KMT2A (0.35) THRBALDH1A1MAPTTP53RXFP1
SCHEMBL12895691 0.84 SLC8A1 (0.35) THRBALDH1A1MAPTTP53RXFP1
SCHEMBL14293335 0.83 ALDH1A1 (0.36) ALDH1A1MAPTTP53POLBLMNA
SCHEMBL1208579 0.82 ALDH1A1 (0.45) ALDH1A1MAPTTP53POLBLMNA

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 THRB 489/4885ALDH1A1 316/4885MAPT 865/4885

“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.