SCHEMBL206332

SCHEMBL206332

CCCCCOc1ccc(NC(=O)c2csc(-c3cccnc3)n2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.56
HDAC2 Q92769 1/20 0.50
S1PR1 P21453 1/20 0.49
TLR7 Q9NYK1 1/20 0.48
ROCK2 O75116 1/20 0.48
MAPK1 P28482 3/20 0.48
IDE P14735 1/20 0.48
MAPK10 P53779 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2870938 0.92 IRAK4 (0.47) IRAK4HDAC2S1PR1TLR7ROCK2
SCHEMBL207142 0.86 S1PR1 (0.49) S1PR1ROCK2NPC1RAB9AMAPT
SCHEMBL204820 0.85 SGMS2 (0.47) IRAK4S1PR1MAPK1LMNA
SCHEMBL206345 0.84 ATP4A (0.42) IRAK4HDAC2S1PR1NPC1RAB9A
SCHEMBL2868218 0.83 MAPT (0.48) S1PR1MAPK1IDEMAPK10ATM
SCHEMBL2863790 0.82 IRAK4 (0.49) IRAK4HDAC2TLR7MAPK1HDAC6
SCHEMBL205486 0.81 MEN1 (0.49) MAPK1NPC1RAB9AMAPT
SCHEMBL205332 0.79 SGMS2 (0.45) S1PR1MAPK1NPC1RAB9ALMNA
SCHEMBL206558 0.79 S1PR1 (0.49) S1PR1MAPK1LMNAMAPT
SCHEMBL204452 0.79 MEN1 (0.57) MAPK1NPC1RAB9ALMNAMAPT

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 8 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-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 IRAK4 248/4885HDAC2 302/4885S1PR1 1259/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 IRAK4 248/4885HDAC2 302/4885S1PR1 1259/4885

“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.