SCHEMBL4240545

SCHEMBL4240545

CC(=O)/N=C1\S/C(=C\I)CN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.36
PPARA Q07869 8/20 0.36
ATM Q13315 1/20 0.34
GPR6 P46095 1/20 0.34
PPARG P37231 3/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAOB P27338 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
AKR1C3 P42330 1/20 0.32
NOTUM Q6P988 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL4240546 1.00 PPARD (0.36) PPARDPPARAATMGPR6PPARG
SCHEMBL2865759 0.82 ATM (0.36) PPARDPPARAATMGPR6PPARG
SCHEMBL2865756 0.82 ATM (0.36) PPARDPPARAATMGPR6PPARG
SCHEMBL2867426 0.72 NOTUM (0.39) PPARDPPARAATMGPR6CA12
SCHEMBL2867424 0.72 NOTUM (0.39) PPARDPPARAATMGPR6CA12
SCHEMBL2878921 0.68 HPGD (0.41) GPR6CA12CA2CA9AKR1C3
SCHEMBL2878927 0.68 HPGD (0.41) GPR6CA12CA2CA9AKR1C3
SCHEMBL2863514 0.68 HPGD (0.43) GPR6CA12CA2CA9AKR1C3
SCHEMBL2863512 0.68 HPGD (0.43) GPR6CA12CA2CA9AKR1C3
SCHEMBL4229487 0.68 NPC1 (0.38) PPARDPPARAPPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM PPARD 42/4885PPARA 160/4885ATM 1195/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 PPARD 2186/4885PPARA 2809/4885ATM 3534/4885

“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.