SCHEMBL249562

SCHEMBL249562

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.77
VCP P55072 6/20 0.67
MAPT P10636 7/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
GAA P10253 4/20 0.66
NPC1 O15118 4/20 0.66
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 3/20 0.66
MAPK1 P28482 3/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
AMY1A P0DUB6 4/20 0.64
ALOX15 P16050 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TSHR P16473 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
HPGD P15428 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64

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
SCHEMBL205162 0.90 PTGS2 (0.73) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL207938 0.90 PTGS2 (0.73) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL206619 0.89 ALOX5 (0.60) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL206982 0.89 ALOX5 (0.60) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL204770 0.89 ALOX5 (0.67) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL208663 0.89 ALOX5 (0.60) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL208684 0.89 ALOX5 (0.60) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL207205 0.89 ALOX5 (0.60) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL206383 0.89 RAB9A (0.60) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL206286 0.89 RAB9A (0.60) ALOX5VCPMAPTMEN1KMT2A

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 ALOX5 3410/4885VCP 1270/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885VCP 1270/4885MAPT 2207/4885

“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.