SCHEMBL720719

SCHEMBL720719

CCC(CC)C(Nc1ccc(C(=O)NCCC(=O)O)cc1)c1oc2ccc(F)cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCG P01275 9/20 0.45
GCGR P47871 4/20 0.39
EGLN2 Q96KS0 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SIRT5 Q9NXA8 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
SCHEMBL719819 0.93 GCG (0.47) GCGGCGREGLN2MAPK14RAB9A
SCHEMBL9070773 0.88 GCG (0.42) GCGGCGRMEN1KMT2A
SCHEMBL3396953 0.87 NPC1 (0.48) GCGRMEN1KMT2ARAB9ANPC1
SCHEMBL721622 0.86 CA12 (0.40) MEN1KMT2ARAB9ANPC1PTGDR2
SCHEMBL719995 0.84 NAMPT (0.36) GCGKMT2ARAB9ANPC1PTGDR2
SCHEMBL721727 0.83 NPC1 (0.47) GCGGCGRRAB9ANPC1
SCHEMBL721199 0.83 NPC1 (0.48) GCGGCGRRAB9ANPC1
SCHEMBL719006 0.82 LMNA (0.41) MEN1KMT2ARAB9ANPC1
SCHEMBL717086 0.79 NPC1 (0.46) MEN1KMT2ARAB9ANPC1
SCHEMBL2669991 0.77 NAMPT (0.40) GCGKMT2ARAB9ANPC1PTGDR2

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 8 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 GCG 35/4885GCGR 90/4885EGLN2 256/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GCGR 90/4885EGLN2 256/4885

“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.