SCHEMBL207241

SCHEMBL207241

CCCCCOc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
CYP1A1 P04798 5/20 0.47
CYP1B1 Q16678 5/20 0.47
CYP1A2 P05177 4/20 0.47
VCP P55072 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
S1PR1 P21453 2/20 0.42
DHODH Q02127 2/20 0.42
NTSR1 P30989 1/20 0.41
NAMPT P43490 1/20 0.41
ALOX5 P09917 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
MPL P40238 1/20 0.39

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
SCHEMBL250067 0.89 VCP (0.54) PTGS2CYP1A1CYP1B1CYP1A2VCP
SCHEMBL250309 0.89 VCP (0.52) PTGS2VCPS1PR1NTSR1MPL
SCHEMBL206015 0.88 PTGS2 (0.51) PTGS2CYP1A1CYP1B1CYP1A2VCP
SCHEMBL207040 0.86 S1PR1 (0.44) CYP1A1CYP1B1CYP1A2VCPS1PR1
SCHEMBL205906 0.86 VCP (0.44) PTGS2CYP1A1CYP1B1CYP1A2VCP
SCHEMBL206526 0.85 NPY5R (0.57) CYP1A1CYP1B1CYP1A2VCPNPC1
SCHEMBL2700258 0.85 ALOX5 (0.59) PTGS2VCPALOX5
SCHEMBL207264 0.85 S1PR1 (0.41) PTGS2CYP1A1CYP1B1CYP1A2VCP
SCHEMBL208515 0.84 ALOX5 (0.58) PTGS2VCPALOX5
SCHEMBL2696254 0.84 ALDH1A1 (0.43) VCPNPC1RAB9AS1PR1NTSR1

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 PTGS2 3352/4885CYP1A1 212/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGS2 3352/4885CYP1A1 212/4885CYP1B1 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.