SCHEMBL207159

SCHEMBL207159

CCCCCCCOc1ccc(Nc2nc(-c3ccc(OCC(=O)O)cc3)c(C)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
PLA2G4B P0C869 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.45
AGER Q15109 1/20 0.45
POLB P06746 1/20 0.45
PTPN1 P18031 1/20 0.45
RARB P10826 3/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2697298 1.00 DHODH (0.48) DHODHGAAMAPTPLA2G4BALDH1A1
SCHEMBL206829 0.91 PTPRC (0.49) DHODHGAAMAPTALDH1A1MEN1
SCHEMBL207114 0.91 PTPRC (0.49) DHODHGAAMAPTALDH1A1MEN1
SCHEMBL206460 0.86 S1PR1 (0.50) DHODHPLA2G4BALDH1A1PTPN1HPGD
SCHEMBL206167 0.85 S1PR1 (0.49) DHODHALDH1A1PTPN1HPGD
SCHEMBL205266 0.84 DHODH (0.50) DHODHGAAMAPTALDH1A1MEN1
SCHEMBL249863 0.84 ATP4A (0.62) PLA2G4BPTPN1RARBATP4AATP4B
SCHEMBL206039 0.84 DHODH (0.59) DHODHGAAMAPTALDH1A1MEN1
SCHEMBL250646 0.81 ALOX5 (0.59) GAAMAPTPLA2G4BALDH1A1MEN1
SCHEMBL208175 0.81 DHODH (0.43) DHODHGAAMAPTPTGDR2PTPN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 DHODH 1219/4885GAA 1359/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885GAA 1359/4885MAPT 2207/4885

“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.