SCHEMBL2863784

SCHEMBL2863784

O=C(/N=c1\sc(CO)cn1-c1ccc2ccccc2c1)N1CC[C@@H](F)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.34
PIN1 Q13526 1/20 0.33
NOTUM Q6P988 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.31
S1PR5 Q9H228 1/20 0.31
DRD4 P21917 1/20 0.31
HTR7 P34969 1/20 0.31
DPP4 P27487 3/20 0.31
CCKAR P32238 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL2863785 1.00 AKR1C3 (0.34) AKR1C3PIN1NOTUMNPC1RAB9A
SCHEMBL4233348 0.87 DPP4 (0.30) DPP4DPP7
SCHEMBL4233343 0.87 DPP4 (0.30) DPP4DPP7
SCHEMBL2867987 0.86 RAB9A (0.36) AKR1C3PIN1NPC1RAB9ADPP4
SCHEMBL2867990 0.86 RAB9A (0.36) AKR1C3PIN1NPC1RAB9ADPP4
SCHEMBL2862947 0.86 LPAR5 (0.35)
SCHEMBL2862942 0.86 LPAR5 (0.35)
SCHEMBL2868760 0.86 RAB9A (0.41) AKR1C3NOTUMNPC1RAB9AHPGD
SCHEMBL2868757 0.86 RAB9A (0.41) AKR1C3NOTUMNPC1RAB9AHPGD
SCHEMBL4240522 0.85 GAA (0.33) NOTUMNPC1RAB9AHPGDDPP4

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 14 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
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 AKR1C3 4354/4885PIN1 1940/4885NOTUM 2423/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 AKR1C3 2279/4885PIN1 4697/4885NOTUM 2175/4885

“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.