SCHEMBL2841328

SCHEMBL2841328

Cc1cn(-c2ccc(OC(F)F)cc2)/c(=N/C(=O)N(C)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.36
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
KDR P35968 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TEAD4 Q15561 1/20 0.32
HTT P42858 2/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 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
SCHEMBL2841332 1.00 PLA2G4A (0.36) PLA2G4ALMNAALDH1A1MAPTATM
SCHEMBL2872384 0.87 LMNA (0.35) PLA2G4ALMNAALDH1A1MAPTATM
SCHEMBL2872379 0.87 LMNA (0.35) PLA2G4ALMNAALDH1A1MAPTATM
SCHEMBL2865189 0.86 LIPE (0.40) PLA2G4ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL2865192 0.86 LIPE (0.40) PLA2G4ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL2840257 0.83 ACACB (0.34) PLA2G4ALMNAALDH1A1MAPTATM
SCHEMBL2840253 0.83 ACACB (0.34) PLA2G4ALMNAALDH1A1MAPTATM
SCHEMBL2868315 0.83 SMN1; SMN2 (0.40) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL2868317 0.83 SMN1; SMN2 (0.40) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL2842628 0.82 MAPK1 (0.39) PLA2G4ALMNAALDH1A1MAPTATM

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 13 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
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO 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 PLA2G4A 3068/4885LMNA 2279/4885ALDH1A1 2649/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 PLA2G4A 566/4885LMNA 3760/4885ALDH1A1 2032/4885

“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.