SCHEMBL8294491

SCHEMBL8294491

CCCCS(=O)(=O)NC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.34
GBA1 P04062 3/20 0.33
CES1 P23141 5/20 0.32
FAAH O00519 4/20 0.32
CES2 O00748 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
EPHX1 P07099 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
SCHEMBL1519541 0.86 GBA1 (0.33) GBA1CA1CA2MMP1MMP2
SCHEMBL12765425 0.85 TSHR (0.36) GBA1
SCHEMBL27109977 0.76 CASP2 (0.44) PPARGCES1FAAHCES2CA1
SCHEMBL16181428 0.76 HSP90AA1 (0.42) CES1FAAHCES2CA1CA2
SCHEMBL13300477 0.74 CA1 (0.36) PPARGCA1CA2
SCHEMBL8292803 0.73 HSP90AA1 (0.53) PPARGCES1FAAHCES2
SCHEMBL8292801 0.73 HSP90AA1 (0.53) PPARGCES1FAAHCES2
SCHEMBL4397589 0.72 FAAH (0.44) CES1FAAHCES2
SCHEMBL4732709 0.70 HSP90AA1 (0.53) PPARGCES1FAAHCES2
SCHEMBL14166663 0.70 HSP90AA1 (0.48) FAAH

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
US-20160108102-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2016-04-21 US disclosed
US-20160108102-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2016-04-21 US disclosed
US-20130244931-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2013-09-19 US disclosed
US-20130244931-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2013-09-19 US disclosed
US-20130053315-A1 NOVEL GLP-1 DERIVATIVES NOVO NORDISK A/S 2013-02-28 US disclosed
US-20130053315-A1 NOVEL GLP-1 DERIVATIVES NOVO NORDISK A/S 2013-02-28 US disclosed
US-20130040884-A1 ALBUMIN-BINDING CONJUGATES COMPRISING FATTY-ACID AND PEG NOVO NORDISK A/S 2013-02-14 US disclosed
US-20130040884-A1 ALBUMIN-BINDING CONJUGATES COMPRISING FATTY-ACID AND PEG NOVO NORDISK A/S 2013-02-14 US disclosed
US-20100305032-A1 Novel GLP-1 Derivatives NOVO NORDISK A/S (DK) 2010-12-02 US disclosed
US-20100305032-A1 Novel GLP-1 Derivatives NOVO NORDISK A/S (DK) 2010-12-02 US disclosed
US-20070203058-A1 Novel Glp-1 Derivatives NOVO NORDISK A/S (DK) 2007-08-30 US disclosed
US-20070203058-A1 Novel Glp-1 Derivatives NOVO NORDISK A/S (DK) 2007-08-30 US disclosed
WO-2005027978-A2 ALBUMIN-BINDING DERIVATIVES OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2005-03-31 WO 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 (6 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-20130040884-A1 ALBUMIN-BINDING CONJUGATES COMPRISING FATTY-ACID AND PEG FABP1, FABP2, FABP4 PPARG 65/4885GBA1 1479/4885CES1 132/4885
US-20130053315-A1 NOVEL GLP-1 DERIVATIVES GLP1R, GIPR, IAPP PPARG 279/4885GBA1 3971/4885CES1 1628/4885
US-20160108102-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP PPARG 279/4885GBA1 3971/4885CES1 1628/4885
US-20100305032-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP PPARG 279/4885GBA1 3971/4885CES1 1628/4885
US-20070203058-A1 Novel Glp-1 Derivatives GLP1R, GIPR, NPY4R PPARG 1119/4885GBA1 4478/4885CES1 1666/4885
US-20130244931-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP PPARG 279/4885GBA1 3971/4885CES1 1628/4885

“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.