SCHEMBL3745547

SCHEMBL3745547

NC(=O)c1cccc(NC(=O)C2=CC[C@@H](c3cc(F)c(F)cc3F)[C@H](N)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.67
DPP8 Q6V1X1 3/20 0.67
DPP9 Q86TI2 3/20 0.67
PARP1 P09874 6/20 0.43
PARP10 Q53GL7 5/20 0.43
PARP15 Q460N3 4/20 0.43
KDM1A O60341 7/20 0.40
MAOA P21397 5/20 0.40
MAOB P27338 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP14 Q460N5 3/20 0.39
TNKS O95271 1/20 0.39
RCOR1 Q9UKL0 1/20 0.38

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
SCHEMBL3745543 1.00 DPP4 (0.67) DPP4DPP8DPP9PARP1PARP10
SCHEMBL3745540 1.00 DPP4 (0.67) DPP4DPP8DPP9PARP1PARP10
SCHEMBL3751514 0.90 DPP4 (0.55) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3751512 0.90 DPP4 (0.55) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3751520 0.90 DPP4 (0.55) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3754640 0.88 DPP4 (0.52) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3754641 0.88 DPP4 (0.52) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3754646 0.88 DPP4 (0.52) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3751550 0.88 DPP4 (0.54) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3744688 0.88 DPP4 (0.54) DPP4DPP8DPP9KDM1AMAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP claimed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO claimed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US claimed
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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 (1 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.