SCHEMBL205699

SCHEMBL205699

Fc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.78
PTGS2 P35354 3/20 0.77
PTGES O14684 1/20 0.69
ALOX5 P09917 7/20 0.66
SMN1; SMN2 Q16637 7/20 0.65
RAB9A P51151 7/20 0.65
MAPT P10636 6/20 0.65
NPC1 O15118 5/20 0.65
POLB P06746 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
GAA P10253 3/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MCL1 Q07820 1/20 0.64
RECQL P46063 1/20 0.64
MAPK1 P28482 1/20 0.59

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
SCHEMBL12297326 0.91 PTGS2 (0.83) NPY5RPTGS2PTGESALOX5SMN1; SMN2
SCHEMBL1822927 0.91 PTGS2 (0.82) NPY5RPTGS2PTGESALOX5SMN1; SMN2
SCHEMBL207928 0.90 NPY5R (0.74) NPY5RPTGS2PTGESALOX5SMN1; SMN2
SCHEMBL29276759 0.88 NPY5R (1.00) NPY5RALOX5SMN1; SMN2RAB9AMAPT
SCHEMBL1820221 0.88 NPY5R (0.88) NPY5RALOX5SMN1; SMN2RAB9AMAPT
SCHEMBL12297702 0.87 PTGS2 (0.77) NPY5RPTGS2PTGESALOX5SMN1; SMN2
SCHEMBL6926815 0.86 ALOX5 (0.85) NPY5RPTGS2ALOX5SMN1; SMN2RAB9A
SCHEMBL12297263 0.85 PTGS2 (0.73) NPY5RPTGS2PTGESALOX5SMN1; SMN2
SCHEMBL11375904 0.84 PTGS2 (0.86) NPY5RPTGS2ALOX5SMN1; SMN2RAB9A
SCHEMBL12297210 0.84 PTGS2 (0.72) NPY5RPTGS2PTGESALOX5SMN1; SMN2

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 10 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-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 NPY5R 3686/4885PTGS2 3352/4885PTGES 2882/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPY5R 3686/4885PTGS2 3352/4885PTGES 2882/4885

“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.