SCHEMBL204553

SCHEMBL204553

COc1ccc(-c2csc(Nc3ccc(OCC(C)C)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
MAPT P10636 8/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 5/20 0.56
GAA P10253 4/20 0.56
ALOX5 P09917 4/20 0.53
VCP P55072 1/20 0.53
ALDH1A1 P00352 4/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
MAPK1 P28482 2/20 0.52
MCL1 Q07820 1/20 0.52
RECQL P46063 1/20 0.52
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PTGES O14684 1/20 0.49

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
SCHEMBL250087 0.90 ALOX5 (0.49) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL205026 0.86 PTGS2 (0.56) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL205441 0.85 PTGS2 (0.55) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL206879 0.83 MEN1 (0.56) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL205627 0.82 PRMT5 (0.51) MAPTMEN1KMT2AGAAVCP
SCHEMBL205822 0.80 PTGS2 (0.56) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL207847 0.79 PTGS2 (0.47) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL206604 0.79 SYK (0.45) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL204634 0.78 ALOX5 (0.45) PTGS2MAPTMEN1KMT2ARAB9A
SCHEMBL2696390 0.78 ALDH1A1 (0.62) PTGS2MAPTMEN1KMT2ARAB9A

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 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-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 3352/4885MAPT 2207/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGS2 3352/4885MAPT 2207/4885MEN1 3862/4885

“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.