SCHEMBL720443

SCHEMBL720443

Cc1c(C(Nc2ccc(C(=O)O)cn2)C(C)C)oc2ccc(OCC3CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.46
HCAR3 P49019 5/20 0.43
DGAT1 O75907 7/20 0.42
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GPR35 Q9HC97 1/20 0.38
RXRA P19793 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL717004 0.92 GCK (0.38) GCKDGAT1KDM4E
SCHEMBL722328 0.88 GCK (0.36) GCKDGAT1SOAT2SOAT1DGAT2
SCHEMBL718710 0.84 KDM4E (0.34) GCKDGAT1KDM4E
SCHEMBL719057 0.83 DGAT1 (0.42) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL721152 0.79 DGAT1 (0.38) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL717092 0.78 NPC1 (0.37) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL719083 0.78 GCK (0.42) GCKHCAR3DGAT1SOAT2SOAT1
SCHEMBL719278 0.78 GCK (0.31) GCKDGAT1
SCHEMBL718396 0.76 DGAT1 (0.37) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL718528 0.74 MAOB (0.42) KDM4E

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 GCK 132/4885HCAR3 2764/4885DGAT1 869/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCK 132/4885HCAR3 2764/4885DGAT1 869/4885

“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.