SCHEMBL205267

SCHEMBL205267

CCCCCOc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 12/20 0.53
CYP1A2 P05177 12/20 0.53
CYP1B1 Q16678 12/20 0.53
PTGES O14684 1/20 0.48
NAMPT P43490 1/20 0.46
CFTR P13569 1/20 0.44
VCP P55072 1/20 0.43
ALOX5 P09917 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL204099 0.89 CYP1A1 (0.50) CYP1A1CYP1A2CYP1B1PTGESNAMPT
SCHEMBL207054 0.87 MAPT (0.54) CYP1A1CYP1A2CYP1B1PTGESVCP
SCHEMBL207768 0.87 MEN1 (0.60) CYP1A1CYP1A2CYP1B1VCPMEN1
SCHEMBL205801 0.86 CYP1A1 (0.54) CYP1A1CYP1A2CYP1B1NAMPTCFTR
SCHEMBL205496 0.86 PTGES (0.46) CYP1A1CYP1A2CYP1B1PTGESCFTR
SCHEMBL206360 0.85 MEN1 (0.45) CYP1A1CYP1A2CYP1B1PTGESALOX5
SCHEMBL10244242 0.85 PTGES (0.45) CYP1A1CYP1A2CYP1B1PTGESALOX5
SCHEMBL207676 0.83 MAPT (0.53) CYP1A1CYP1A2CYP1B1PTGESVCP
SCHEMBL206967 0.82 PTGES (0.45) CYP1A1CYP1A2CYP1B1PTGESCFTR
SCHEMBL251456 0.82 CSNK2A1 (0.56) CFTRALOX5MEN1NPC1RAB9A

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 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885

“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.