SCHEMBL4136951

SCHEMBL4136951

O=C(CC1SC(=Nc2ccc(O)cc2)NC1=O)Nc1ccc(Br)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.82
ALDH1A1 P00352 2/20 0.66
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
POLB P06746 2/20 0.64
LMNA P02545 1/20 0.63
ACHE P22303 1/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
MAP2K1 Q02750 1/20 0.48

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
SCHEMBL4136946 1.00 GAA (0.82) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4145862 0.90 GAA (0.80) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4145860 0.90 GAA (0.80) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4451229 0.90 GAA (0.80) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4451234 0.90 GAA (0.80) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4149863 0.87 KMT2A (0.68) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4149866 0.87 KMT2A (0.68) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4153279 0.86 MEN1 (0.85) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4153284 0.86 MEN1 (0.85) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL4140071 0.85 GAA (0.91) GAAALDH1A1KMT2AMEN1POLB

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-20090156644-A1 Use of thiazole derivatives and analogues in the treatment of cancer BETAGENON AB (SE) 2009-06-18 US disclosed
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids BETAGENON AB (SE) 2009-05-28 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 (2 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-20090156644-A1 Use of thiazole derivatives and analogues in the treatment of cancer TBXA2R, TSHR, FOLR1 GAA 2671/4885ALDH1A1 312/4885KMT2A 1742/4885
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids FFAR2, FFAR1, FFAR4 GAA 1211/4885ALDH1A1 707/4885KMT2A 1701/4885

“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.