SCHEMBL206635

SCHEMBL206635

COc1ccc(CNc2nc(-c3ccc(OCC(=O)O)cc3)c(C)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
PPARD Q03181 6/20 0.48
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
PTBP1 P26599 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FYN P06241 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL206170 0.90 PTGS2 (0.57) PTGS2PPARDALDH1A1MAPK1HSD17B10
SCHEMBL205725 0.83 ALDH1A1 (0.54) PTGS2ALDH1A1MAPTHTTLMNA
SCHEMBL2002627 0.79 FFAR1 (0.57) PPARDALDH1A1MAPK1HSD17B10
SCHEMBL253495 0.77 MAPT (0.69) PTGS2ALDH1A1MAPTHTTLMNA
SCHEMBL2003964 0.77 ALDH1A1 (0.49) PPARDPTPN1ALDH1A1MAPK1HSD17B10
SCHEMBL205173 0.77 ALDH1A1 (0.59) ALDH1A1MAPK1HSD17B10MAPTLMNA
SCHEMBL205266 0.77 DHODH (0.50) PPARDALDH1A1MAPK1HSD17B10MAPT
SCHEMBL27968542 0.76 RAB9A (0.59) PTGS2ALDH1A1MAPK1HSD17B10MAPT
SCHEMBL207114 0.75 PTPRC (0.49) PTPN1ALDH1A1MAPTPTGDR2HPGD
SCHEMBL206829 0.75 PTPRC (0.49) PTPN1ALDH1A1MAPTPTGDR2HPGD

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 PTGS2 3352/4885PPARD 945/4885PTPN1 1737/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGS2 3352/4885PPARD 945/4885PTPN1 1737/4885

“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.