SCHEMBL205496

SCHEMBL205496

CCCCCOc1ccc(Nc2nc(-c3ccc(F)nc3)cs2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
ALOX5 P09917 3/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
HPGDS O60760 1/20 0.41
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL10244242 0.90 PTGES (0.45) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL205851 0.89 S1PR1 (0.44) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL206967 0.88 PTGES (0.45) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL208686 0.88 S1PR1 (0.46) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL206360 0.87 MEN1 (0.45) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL207054 0.87 MAPT (0.54) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL207768 0.87 MEN1 (0.60) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL205267 0.86 CYP1A1 (0.53) PTGESALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL251202 0.86 SIRT5 (0.55) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL251456 0.86 CSNK2A1 (0.56) ALOX5MEN1KMT2ARAB9ANPC1

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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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 PTGES 2882/4885ALOX5 3410/4885CYP1A1 212/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGES 2882/4885ALOX5 3410/4885CYP1A1 212/4885

“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.