SCHEMBL720741

SCHEMBL720741

Cc1c(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)sc2ccc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.40
GCG P01275 4/20 0.38
PDE7A Q13946 1/20 0.37
EPHX2 P34913 2/20 0.36
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
CRHR1 P34998 1/20 0.35
LTA4H P09960 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
CTSS P25774 1/20 0.35
PTGER4 P35408 1/20 0.34

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
SCHEMBL719528 0.94 RCE1 (0.39) RCE1GCGPDE7AEPHX2GLP1R
SCHEMBL718728 0.84 RCE1 (0.44) RCE1GCGPDE7AGLP1RGCGR
SCHEMBL720764 0.84 RCE1 (0.46) RCE1PDE7AGCGR
SCHEMBL718249 0.83 RCE1 (0.44) RCE1PDE7AGCGR
SCHEMBL14905728 0.82 RCE1 (0.43) RCE1GCGEPHX2GLP1RGCGR
SCHEMBL14905709 0.81 RCE1 (0.45) RCE1GCGPDE7ALTA4H
SCHEMBL3101390 0.80 MAPK11 (0.41) RCE1GCGEPHX2GLP1RGCGR
SCHEMBL14905675 0.80 RCE1 (0.46) RCE1GCGEPHX2GLP1RGCGR
SCHEMBL14905693 0.79 RCE1 (0.45) RCE1PDE7ALTA4H
SCHEMBL719872 0.77 PDE2A (0.42) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885GCG 35/4885PDE7A 2449/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885GCG 35/4885PDE7A 2449/4885

“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.