SCHEMBL208026

SCHEMBL208026

CCCCCOc1ccc(Nc2nc(-c3ccc(OCC(=O)OCC)cc3)c(C)s2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.46
S1PR1 P21453 4/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PPARD Q03181 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37

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 0.92 S1PR1 (0.49) DHODHS1PR1ALDH1A1KDM4EHPGD
SCHEMBL206460 0.91 S1PR1 (0.50) DHODHS1PR1ALDH1A1KDM4EHPGD
SCHEMBL206471 0.85 S1PR1 (0.44) DHODHS1PR1ALDH1A1KDM4EHPGD
SCHEMBL248990 0.85 S1PR1 (0.49) DHODHS1PR1ALDH1A1KDM4EHPGD
SCHEMBL205541 0.79 S1PR1 (0.51) DHODHS1PR1S1PR4S1PR5PTPN1
SCHEMBL10190510 0.78 S1PR1 (0.53) DHODHS1PR1ALDH1A1HPGDS1PR4
SCHEMBL208175 0.78 DHODH (0.43) DHODHSMN1; SMN2NPSR1PPARDPPARG
SCHEMBL205994 0.78 S1PR1 (0.43) DHODHS1PR1ALDH1A1KDM4EPOLB
SCHEMBL207159 0.77 DHODH (0.48) DHODHALDH1A1HPGDPOLBPTPN1
SCHEMBL2697298 0.77 DHODH (0.48) DHODHALDH1A1HPGDPOLBPTPN1

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 1219/4885S1PR1 1259/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885S1PR1 1259/4885ALDH1A1 109/4885

“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.