SCHEMBL2861100

SCHEMBL2861100

COc1ncc(-c2ccc(-n3ccs/c3=N\C(=O)N3CCCC3)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
GPR119 Q8TDV5 1/20 0.38
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PLAU P00749 1/20 0.32
GRM5 P41594 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK1 P28482 1/20 0.32
FTO Q9C0B1 1/20 0.32
SCN9A Q15858 1/20 0.32
PIK3CA P42336 1/20 0.32
PTGS2 P35354 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
SCHEMBL2861104 1.00 HPGD (0.38) HPGDGPR119CD274ALDH1A1NPC1
SCHEMBL2871959 0.89 HPGD (0.41) HPGDGPR119CD274PIK3CA
SCHEMBL2871958 0.89 HPGD (0.41) HPGDGPR119CD274PIK3CA
SCHEMBL2866583 0.87 SMN1; SMN2 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2866581 0.87 SMN1; SMN2 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2863400 0.84 SMN1; SMN2 (0.47) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2863396 0.84 SMN1; SMN2 (0.47) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2870430 0.82 HPGD (0.38) HPGDALDH1A1NPC1RAB9AGRIN2B
SCHEMBL2870432 0.82 HPGD (0.38) HPGDALDH1A1NPC1RAB9AGRIN2B
SCHEMBL2871570 0.81 HPGD (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US 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
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 HPGD 827/4885GPR119 21/4885CD274 3629/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 HPGD 1323/4885GPR119 320/4885CD274 2223/4885

“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.