SCHEMBL4234632

SCHEMBL4234632

Cc1cn(-c2ccc(C)c(C)c2)/c(=N/C(=O)N2CC[C@@H](F)C2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
LPAR5 Q9H1C0 2/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
GRIN2B Q13224 2/20 0.32
DPP4 P27487 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DPP7 Q9UHL4 3/20 0.32
ACACB O00763 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL4234636 1.00 TP53 (0.34) TP53ALDH1A1HPGDLPAR5MAPT
SCHEMBL2864897 0.92 PDE4B (0.39) TP53ALDH1A1HPGDLPAR5MAPT
SCHEMBL2864901 0.92 PDE4B (0.39) TP53ALDH1A1HPGDLPAR5MAPT
SCHEMBL2867301 0.88 DPP4 (0.33) GRIN2BDPP4DPP7KCNH2DPP8
SCHEMBL2867297 0.88 DPP4 (0.33) GRIN2BDPP4DPP7KCNH2DPP8
SCHEMBL2846273 0.88 USP30 (0.35) GRIN2B
SCHEMBL2846276 0.88 USP30 (0.35) GRIN2B
SCHEMBL2867029 0.88 DPP4 (0.38) MAPTDPP4DPP7NPC1RAB9A
SCHEMBL2867031 0.88 DPP4 (0.38) MAPTDPP4DPP7NPC1RAB9A
SCHEMBL4240522 0.88 GAA (0.33) TP53ALDH1A1HPGDLPAR5MAPT

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
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 TP53 2968/4885ALDH1A1 2649/4885HPGD 827/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 TP53 4101/4885ALDH1A1 2032/4885HPGD 1323/4885

“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.