SCHEMBL206829

SCHEMBL206829

CCCCCCCCc1ccc(Nc2nc(-c3ccc(OCC(=O)O)cc3)c(C)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN1 P18031 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
CDC25C P30307 1/20 0.49
PPP1CC P36873 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DHODH Q02127 2/20 0.46
PLA2G4A P47712 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL207114 1.00 PTPRC (0.49) PTPRCPTPRFPTPN1CDC25ACDC25B
SCHEMBL2697298 0.91 DHODH (0.48) PTPN1MAPTGAADHODHALDH1A1
SCHEMBL207159 0.91 DHODH (0.48) PTPN1MAPTGAADHODHALDH1A1
SCHEMBL206401 0.86 MAPT (0.55) MAPTGAACYP1A2CYP3A4CYP2C9
SCHEMBL205266 0.82 DHODH (0.50) MAPTGAACYP1A2CYP2C9CYP2C19
SCHEMBL206039 0.82 DHODH (0.59) MAPTGAACYP1A2CYP2C9CYP2C19
SCHEMBL206167 0.79 S1PR1 (0.49) PTPN1DHODHALDH1A1PPARGPPARA
SCHEMBL208175 0.78 DHODH (0.43) PTPN1MAPTGAADHODHPPARG
SCHEMBL249863 0.78 ATP4A (0.62) PTPN1PLA2G4A
SCHEMBL9653716 0.78 PPARA (0.64) PTPRCPTPRFPTPN1CDC25ACDC25B

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 PTPRC 4062/4885PTPRF 3487/4885PTPN1 1737/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTPRC 4062/4885PTPRF 3487/4885PTPN1 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.