SCHEMBL2868979

SCHEMBL2868979

Cc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)N2CCN(c3ccccc3)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
AKR1C3 P42330 1/20 0.45
MAPK1 P28482 2/20 0.43
SLC6A9 P48067 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
HTT P42858 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
CCR1 P32246 1/20 0.40
NAMPT P43490 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL2868982 1.00 CA12 (0.46) CA12CA2CA9AKR1C3MAPK1
SCHEMBL2865113 0.87 CA12 (0.39) CA12CA2CA9AKR1C3MAPK1
SCHEMBL2840602 0.87 EPHX2 (0.41) CA12CA2CA9AKR1C3ME2
SCHEMBL2840604 0.87 EPHX2 (0.41) CA12CA2CA9AKR1C3ME2
SCHEMBL2865116 0.87 CA12 (0.39) CA12CA2CA9AKR1C3MAPK1
SCHEMBL2874436 0.87 SLC6A7 (0.50) CA12CA2CA9TSHRNAMPT
SCHEMBL2874437 0.87 SLC6A7 (0.50) CA12CA2CA9TSHRNAMPT
SCHEMBL2868180 0.87 HPGD (0.40) CA12CA2CA9AKR1C3ME2
SCHEMBL2869229 0.87 HPGD (0.43) CA12CA2CA9AKR1C3SLC6A9
SCHEMBL2837362 0.87 HPGD (0.40) CA12CA2CA9AKR1C3ME2

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 12 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
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 CA12 2742/4885CA2 2255/4885CA9 1201/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 CA12 2936/4885CA2 2752/4885CA9 3457/4885

“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.