SCHEMBL2698355

SCHEMBL2698355

Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(OCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.51
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
FFAR1 O14842 1/20 0.49
PTPN1 P18031 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
DHODH Q02127 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PPARA Q07869 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL206361 0.85 MAPT (0.54) MAPTTP53POLBKDM4EMEN1
SCHEMBL250948 0.81 MAPT (0.50) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL2697621 0.81 ALDH1A1 (0.52) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL205266 0.80 DHODH (0.50) PPARDMAPTMEN1ALDH1A1KMT2A
SCHEMBL206167 0.79 S1PR1 (0.49) PPARDFFAR1PTPN1KDM4EALDH1A1
SCHEMBL30015670 0.79 DHODH (0.48) PPARDMAPTPOLBKDM4EMEN1
SCHEMBL28893629 0.79 DHODH (0.48) PPARDMAPTPOLBKDM4EMEN1
SCHEMBL28270445 0.78 NR1H4 (0.57) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL918783 0.78 MAPT (0.77) MAPTTP53POLBKDM4EMEN1
SCHEMBL206039 0.78 DHODH (0.59) MAPTPOLBKDM4EMEN1ALDH1A1

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 7 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-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 PPARD 945/4885MAPT 2207/4885TP53 444/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PPARD 945/4885MAPT 2207/4885TP53 444/4885

“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.