SCHEMBL3109922

SCHEMBL3109922

Cc1sc(-c2ccccc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.52
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
PGR P06401 1/20 0.39
CHEK1 O14757 1/20 0.39
PDE7A Q13946 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TEAD4 Q15561 1/20 0.37
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3110106 0.88 RCE1 (0.45) RCE1MAPK11MAPK14
SCHEMBL3104709 0.86 RCE1 (0.42) RCE1LDHALDHBCHEK1PDE7A
SCHEMBL3107034 0.86 GCG (0.46) RCE1
SCHEMBL3099322 0.86 RCE1 (0.53) RCE1LDHALDHBPDE7ANPC1
SCHEMBL3110114 0.85 RCE1 (0.45) RCE1LDHALDHBPGRCHEK1
SCHEMBL3094501 0.85 GCGR (0.39) RCE1PGRCHEK1MAPK14
SCHEMBL3113000 0.85 RCE1 (0.39) RCE1PGRCHEK1PDE7ATEAD4
SCHEMBL3094894 0.79 RCE1 (0.49) RCE1LDHALDHBPGRMEN1
SCHEMBL3101341 0.78 RCE1 (0.48) RCE1PGRMEN1KMT2ANPC1
SCHEMBL3111814 0.78 GCG (0.47) PDE7A

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR RCE1 3126/4885LDHA 3210/4885LDHB 2794/4885

“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.