SCHEMBL206398

SCHEMBL206398

Clc1ccc(-c2csc(Nc3cccc(Cc4ccccc4)c3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.72
VCP P55072 3/20 0.63
PTGS2 P35354 2/20 0.63
NPC1 O15118 1/20 0.58
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
DEGS1 O15121 1/20 0.55
MAP4K4 O95819 1/20 0.55
CYP3A4 P08684 1/20 0.55
AMY1A P0DUB6 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPKAPK2 P49137 1/20 0.55
PIM3 Q86V86 1/20 0.55
MINK1 Q8N4C8 1/20 0.55

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
SCHEMBL207417 0.89 ALOX5 (0.78) ALOX5VCPPTGS2NPC1CYP1A1
SCHEMBL204576 0.88 CFTR (0.64) ALOX5VCPPTGS2MAPTNPY5R
SCHEMBL207509 0.88 NPY5R (0.72) ALOX5NPC1CYP1A1CYP1A2CYP1B1
SCHEMBL2703741 0.86 NPY5R (0.55) ALOX5VCPCYP1A1CYP1A2CYP1B1
SCHEMBL29152948 0.85 ALOX5 (1.00) ALOX5VCPPTGS2NPC1CYP1A1
SCHEMBL205743 0.83 PTGS2 (0.69) ALOX5VCPPTGS2NPC1CYP1A1
SCHEMBL206147 0.81 MEN1 (0.68) VCPNPC1CYP1A1CYP1A2CYP1B1
SCHEMBL12297203 0.81 ALOX5 (0.72) ALOX5VCPPTGS2CYP1A1CYP1A2
SCHEMBL205673 0.81 PTGS2 (0.80) ALOX5VCPPTGS2NPC1CYP1A1
SCHEMBL7114964 0.80 ALOX5 (1.00) ALOX5VCPPTGS2NPC1CYP1A2

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 ALOX5 3410/4885VCP 1270/4885PTGS2 3352/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885VCP 1270/4885PTGS2 3352/4885

“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.