SCHEMBL250067

SCHEMBL250067

CCCCCOc1ccc(Nc2nc(-c3ccccc3OC)cs2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.54
PTGS2 P35354 1/20 0.53
HPGDS O60760 1/20 0.51
CYP1A1 P04798 4/20 0.45
CYP1B1 Q16678 4/20 0.45
CYP1A2 P05177 3/20 0.45
NAMPT P43490 1/20 0.44
MCHR1 Q99705 1/20 0.42
S1PR1 P21453 1/20 0.42
ALOX5 P09917 1/20 0.42
AMY1A P0DUB6 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
PTGES O14684 1/20 0.42
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
SREBF2 Q12772 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP3A4 P08684 1/20 0.41
PSEN1 P49768 1/20 0.41

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
SCHEMBL205657 0.90 KMT2A (0.47) VCPPTGS2MCHR1S1PR1ALOX5
SCHEMBL207241 0.89 PTGS2 (0.48) VCPPTGS2CYP1A1CYP1B1CYP1A2
SCHEMBL250309 0.89 VCP (0.52) VCPPTGS2HPGDSS1PR1AMY1A
SCHEMBL205906 0.86 VCP (0.44) VCPPTGS2CYP1A1CYP1B1CYP1A2
SCHEMBL206526 0.85 NPY5R (0.57) VCPCYP1A1CYP1B1CYP1A2S1PR1
SCHEMBL205026 0.84 PTGS2 (0.56) VCPPTGS2CYP1A1CYP1B1CYP1A2
SCHEMBL207944 0.84 NPY5R (0.56) VCPCYP1A1CYP1B1CYP1A2S1PR1
SCHEMBL206500 0.84 S1PR1 (0.42) VCPPTGS2CYP1A1CYP1B1CYP1A2
SCHEMBL206797 0.84 S1PR1 (0.46) VCPMCHR1S1PR1ALOX5SPHK2
SCHEMBL206916 0.84 ALOX5 (0.48) VCPPTGS2CYP1A1CYP1B1CYP1A2

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 VCP 1270/4885PTGS2 3352/4885HPGDS 3907/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885PTGS2 3352/4885HPGDS 3907/4885

“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.