SCHEMBL2864904

SCHEMBL2864904

CCN(C(=O)N=c1sc(C)cn1-c1ccc(C(F)(F)F)cc1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 6/20 0.32
CNR1 P21554 2/20 0.32
LMNA P02545 1/20 0.32
PSMB5 P28074 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MMP3 P08254 1/20 0.31
PDE2A O00408 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CXCR3 P49682 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL2864899 1.00 MLYCD (0.33) MLYCDPOLBCNR2CNR1LMNA
SCHEMBL2864522 0.92 CNR2 (0.33) MLYCDCNR2CNR1LMNAPSMB5
SCHEMBL2864526 0.92 CNR2 (0.33) MLYCDCNR2CNR1LMNAPSMB5
SCHEMBL2861202 0.87 CNR2 (0.41) MLYCDCNR2CNR1PSMB5PTGDR2
SCHEMBL2861809 0.87 MEN1 (0.39) PSMB5CXCR3MEN1MAPTKMT2A
SCHEMBL2861815 0.87 MEN1 (0.39) PSMB5CXCR3MEN1MAPTKMT2A
SCHEMBL2861200 0.87 CNR2 (0.41) MLYCDCNR2CNR1PSMB5PTGDR2
SCHEMBL2872822 0.86 TRPM8 (0.35) MLYCDCNR2CNR1PTGDR2KDM4E
SCHEMBL2872819 0.86 TRPM8 (0.35) MLYCDCNR2CNR1PTGDR2KDM4E
SCHEMBL2869590 0.85 MLYCD (0.33) MLYCDCNR2CNR1LMNA

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 11 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-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 MLYCD 2781/4885POLB 3978/4885CNR2 156/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 MLYCD 4580/4885POLB 4097/4885CNR2 91/4885

“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.