SCHEMBL208175

SCHEMBL208175

CCCCCCCCN(C)c1ccc(Nc2nc(-c3ccc(OCC(=O)O)cc3)c(C)s2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.43
PPARD Q03181 3/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FFAR1 O14842 1/20 0.40
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
MPL P40238 1/20 0.38
PTPN1 P18031 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL206460 0.87 S1PR1 (0.50) DHODHPPARDFFAR1PTGESALOX5
SCHEMBL206167 0.86 S1PR1 (0.49) DHODHPPARDFFAR1PPARGPPARA
SCHEMBL2697298 0.81 DHODH (0.48) DHODHPTPN1MAPTGAAPTGDR2
SCHEMBL207159 0.81 DHODH (0.48) DHODHPTPN1MAPTGAAPTGDR2
SCHEMBL209208 0.79 DHODH (0.40) DHODHPTGESALOX5PPARGMPL
SCHEMBL206829 0.78 PTPRC (0.49) DHODHPPARGPPARAPTPN1MAPT
SCHEMBL207114 0.78 PTPRC (0.49) DHODHPPARGPPARAPTPN1MAPT
SCHEMBL2706671 0.78 DHODH (0.38) DHODHPTGESALOX5PPARGMAPT
SCHEMBL208026 0.78 DHODH (0.46) DHODHPPARDPPARGPPARAPTPN1
SCHEMBL2698355 0.77 PPARD (0.51) DHODHPPARDFFAR1PPARAPTPN1

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 9 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 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 1219/4885PPARD 945/4885PSEN1 3602/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885PPARD 945/4885PSEN1 3602/4885

“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.