SCHEMBL206460

SCHEMBL206460

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(OCC(=O)O)cc3)c(C)s2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.50
PPARD Q03181 6/20 0.46
DHODH Q02127 3/20 0.45
FFAR1 O14842 1/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PLA2G4B P0C869 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL206167 0.99 S1PR1 (0.49) S1PR1PPARDDHODHFFAR1S1PR4
SCHEMBL208026 0.91 DHODH (0.46) S1PR1PPARDDHODHS1PR4S1PR5
SCHEMBL248990 0.89 S1PR1 (0.49) S1PR1PPARDDHODHS1PR4S1PR5
SCHEMBL208175 0.87 DHODH (0.43) PPARDDHODHFFAR1PTGESALOX5
SCHEMBL207159 0.86 DHODH (0.48) DHODHALDH1A1HPGDPLA2G4BPTPN1
SCHEMBL2697298 0.86 DHODH (0.48) DHODHALDH1A1HPGDPLA2G4BPTPN1
SCHEMBL10190510 0.86 S1PR1 (0.53) S1PR1PPARDDHODHS1PR4S1PR5
SCHEMBL206471 0.85 S1PR1 (0.44) S1PR1DHODHS1PR4S1PR5KDM4E
SCHEMBL206829 0.80 PTPRC (0.49) DHODHPPARGPPARAALDH1A1HPGD
SCHEMBL207114 0.80 PTPRC (0.49) DHODHPPARGPPARAALDH1A1HPGD

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 S1PR1 1259/4885PPARD 945/4885DHODH 1219/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885PPARD 945/4885DHODH 1219/4885

“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.