SCHEMBL205618

SCHEMBL205618

FC(F)(F)Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 1.00
PTGS2 P35354 4/20 0.68
VCP P55072 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
DEGS1 O15121 1/20 0.64
MAP4K4 O95819 1/20 0.64
CYP3A4 P08684 1/20 0.64
AMY1A P0DUB6 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
MAPKAPK2 P49137 1/20 0.64
PIM3 Q86V86 1/20 0.64
MINK1 Q8N4C8 1/20 0.64
SPHK2 Q9NRA0 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SPHK1 Q9NYA1 1/20 0.64
ESR1 P03372 1/20 0.64

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
SCHEMBL206506 0.89 ALOX5 (0.80) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL1818525 0.87 ALOX5 (0.77) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL206333 0.87 ALOX5 (0.77) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL2648894 0.83 ALOX5 (1.00) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL12297262 0.83 ALOX5 (1.00) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL6252757 0.80 ALOX5 (0.67) ALOX5MEN1MAPTKMT2ARAB9A
SCHEMBL12297183 0.80 ALOX5 (0.78) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL207443 0.80 MEN1 (0.70) ALOX5VCPMEN1MAPTKMT2A
SCHEMBL24590307 0.79 ALOX5 (0.64) ALOX5PTGS2VCPMEN1MAPT
SCHEMBL2755470 0.79 VCP (1.00) ALOX5PTGS2VCPMEN1MAPT

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 9 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 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 3410/4885PTGS2 3352/4885VCP 1270/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885PTGS2 3352/4885VCP 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.