SCHEMBL718728

SCHEMBL718728

Cc1c(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)sc2cc(C(F)(F)F)cnc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.44
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GCG P01275 7/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HPGD P15428 2/20 0.37
S1PR2 O95136 1/20 0.37
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
PDE7A Q13946 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL720172 0.91 ALDH1A1 (0.44) RCE1CYP2C9CYP2C19GCGALDH1A1
SCHEMBL720332 0.87 GCG (0.41) GCGALDH1A1HPGDGLP1RGCGR
SCHEMBL719528 0.85 RCE1 (0.39) RCE1GCGGLP1RGCGRGIPR
SCHEMBL720741 0.84 RCE1 (0.40) RCE1GCGGLP1RGCGRGIPR
SCHEMBL720373 0.82 GCG (0.36) GCGALDH1A1KDM4ENPSR1HPGD
SCHEMBL719453 0.81 RCE1 (0.60) RCE1CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL14905709 0.77 RCE1 (0.45) RCE1GCGPDE7A
SCHEMBL14905693 0.77 RCE1 (0.45) RCE1ALDH1A1KDM4EHPGDPDE7A
SCHEMBL3101390 0.76 MAPK11 (0.41) RCE1GCGGLP1RGCGRGIPR
SCHEMBL720764 0.76 RCE1 (0.46) RCE1KDM4EGCGRPDE7APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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 2661/4885CYP2C9 896/4885CYP2C19 946/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885CYP2C9 896/4885CYP2C19 946/4885

“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.