SCHEMBL717465

SCHEMBL717465

Cc1c(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)oc2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
CSNK2A1 P68400 3/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
TEAD4 Q15561 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LTA4H P09960 1/20 0.35
PDE7A Q13946 1/20 0.35
AKT1 P31749 1/20 0.35
MERTK Q12866 1/20 0.34
TBXAS1 P24557 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL716915 0.92 RCE1 (0.45) RCE1CSNK2A1CSNK2A2CSNK2BLCK
SCHEMBL721439 0.82 NPC1 (0.51) RCE1TEAD4CA12CA1CA2
SCHEMBL14905653 0.81 NPC1 (0.49) RCE1TEAD4CA12CA1CA2
SCHEMBL720543 0.81 NPC1 (0.52) RCE1ALDH1A1NPC1RAB9A
SCHEMBL719620 0.80 RCE1 (0.54) RCE1LCKJAK3TEAD4CA12
SCHEMBL720334 0.80 RCE1 (0.59) RCE1LCKJAK3TEAD4CA12
SCHEMBL719110 0.80 NPC1 (0.41) RCE1TEAD4CA12CA1CA2
SCHEMBL718372 0.80 RCE1 (0.39) RCE1TEAD4PDE7AALDH1A1NPC1
SCHEMBL718539 0.79 PIN1 (0.44) RCE1TEAD4ALDH1A1NPC1RAB9A
SCHEMBL14905709 0.78 RCE1 (0.45) RCE1CSNK2A1CSNK2A2CSNK2BLCK

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 3 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
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 2661/4885CSNK2A1 3236/4885CSNK2A2 3189/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885CSNK2A1 3236/4885CSNK2A2 3189/4885

“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.