SCHEMBL719032

SCHEMBL719032

Cc1c(C(CC(C)C)Nc2ccc(C(=O)O)cc2)sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
RCE1 Q9Y256 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
F10 P00742 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL722249 0.89 MAPT (0.43) RXFP1MAPTTP53KDM4EALDH1A1
SCHEMBL722924 0.86 GCGR (0.56) GCGRGCG
SCHEMBL718138 0.85 GCGR (0.39) GCGRGCG
SCHEMBL719128 0.84 HCAR3 (0.48) GCGRGCG
SCHEMBL718282 0.80 GCGR (0.40) GCGRRCE1RXFP1PRNPF10
SCHEMBL718064 0.76 GABRA5 (0.40) GCGRMAPK1GCGKMT2ACNR1
SCHEMBL718249 0.76 RCE1 (0.44) GCGRRCE1RXFP1PRNPF10
SCHEMBL717732 0.75 CA12 (0.52) RCE1KDM4EALDH1A1CYP3A4ALOX15
SCHEMBL720764 0.75 RCE1 (0.46) GCGRRCE1RXFP1PRNPF10
SCHEMBL724215 0.74 GCG (0.54) GCGRGCG

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-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
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 GCGR 90/4885RCE1 2661/4885RXFP1 3336/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885RCE1 2661/4885RXFP1 3336/4885

“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.