SCHEMBL250646

SCHEMBL250646

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
RECQL P46063 2/20 0.56
MCL1 Q07820 2/20 0.56
KDM4E B2RXH2 2/20 0.56
PTPN12 Q05209 2/20 0.56
PTPN22 Q9Y2R2 2/20 0.56
PKM P14618 1/20 0.56
PTPN7 P35236 1/20 0.56
DUSP3 P51452 1/20 0.56
BLM P54132 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
CSNK2A1 P68400 2/20 0.55
PTGS2 P35354 2/20 0.53
GAA P10253 6/20 0.52
MEN1 O00255 5/20 0.52
RAB9A P51151 5/20 0.52

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
SCHEMBL248227 0.90 CSNK2A1 (0.70) ALOX5MAPTNPC1CSNK2A1PTGS2
SCHEMBL253019 0.89 PTPN12 (0.61) ALOX5MAPTNPC1RECQLMCL1
SCHEMBL249661 0.88 KMT2A (0.59) ALOX5MAPTNPC1KDM4EPKM
SCHEMBL249562 0.87 ALOX5 (0.77) ALOX5MAPTNPC1KDM4EPKM
SCHEMBL207091 0.87 RAB9A (0.66) ALOX5MAPTNPC1RECQLMCL1
SCHEMBL207938 0.86 PTGS2 (0.73) ALOX5MAPTNPC1RECQLMCL1
SCHEMBL205162 0.86 PTGS2 (0.73) ALOX5MAPTNPC1RECQLMCL1
SCHEMBL207205 0.85 ALOX5 (0.60) ALOX5MAPTNPC1RECQLMCL1
SCHEMBL208684 0.85 ALOX5 (0.60) ALOX5MAPTNPC1RECQLMCL1
SCHEMBL208663 0.85 ALOX5 (0.60) ALOX5MAPTNPC1RECQLMCL1

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 3410/4885MAPT 2207/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885MAPT 2207/4885NPC1 62/4885

“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.