SCHEMBL206361

SCHEMBL206361

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GFER P55789 1/20 0.54
PTGDR2 Q9Y5Y4 7/20 0.50
SYK P43405 1/20 0.49
GAA P10253 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DHODH Q02127 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 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
SCHEMBL2698355 0.85 PPARD (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL918783 0.84 MAPT (0.77) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL250948 0.83 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL206297 0.82 PTGDR2 (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28270445 0.81 NR1H4 (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL208077 0.80 MAPT (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL206078 0.79 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28893629 0.79 DHODH (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30015670 0.79 DHODH (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL207470 0.77 RXRA (0.48) MAPTMEN1KMT2AALDH1A1KDM4E

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 MAPT 2207/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885MEN1 3862/4885KMT2A 3476/4885

“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.