SCHEMBL205673

SCHEMBL205673

Clc1ccc(-c2csc(Nc3cccc(Oc4ccccc4)c3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.80
ALOX5 P09917 12/20 0.72
VCP P55072 3/20 0.63
NPC1 O15118 3/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
CYP2C19 P33261 1/20 0.60
CLK1 P49759 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58

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
SCHEMBL207928 0.89 NPY5R (0.74) PTGS2ALOX5NPC1MEN1MAPT
SCHEMBL205866 0.88 CFTR (0.64) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL208919 0.88 SMN1; SMN2 (0.71) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL12297256 0.87 PTGS2 (1.00) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL2705770 0.86 PTGES (0.66) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL205743 0.85 PTGS2 (0.69) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL29152948 0.85 ALOX5 (1.00) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL208171 0.83 CYP1A2 (0.61) PTGS2ALOX5NPC1MEN1MAPT
SCHEMBL14458492 0.83 PTGS2 (0.76) PTGS2ALOX5VCPNPC1MEN1
SCHEMBL205256 0.82 CYP1A2 (0.66) PTGS2ALOX5NPC1MEN1MAPT

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

“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.