SCHEMBL2292596

SCHEMBL2292596

CSc1cc(C(CC2CCOCC2)C(=O)CCC(=O)c2ncc(COC3CCCCO3)s2)nn1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
GCK P35557 1/20 0.30

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
SCHEMBL2898420 0.77 GCK (0.36) ICAM1SELEGCK
SCHEMBL2900466 0.77 KCNH2 (0.45) GCK
SCHEMBL2899458 0.77 GCK (0.50) GCK
SCHEMBL2295487 0.71 CPB2 (0.34) GCK
SCHEMBL2293414 0.70 GCK (0.34) GCK
SCHEMBL2294076 0.69 GCK (0.32) GCK
SCHEMBL2291277 0.68 CNR1 (0.33) GCK
SCHEMBL2902076 0.66 GCK (0.35) GCK
SCHEMBL13368195 0.64 KCNH2 (0.38) GCK
SCHEMBL13477789 0.63 GCK (0.33) GCK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266983-B1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2013-06-05 EP disclosed
US-8349886-B2 Nitrogenated 5-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8349886-B2 Nitrogenated 5-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8349886-B2 Nitrogenated 5-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
EP-2266983-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-29 EP disclosed
EP-2266983-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-29 EP disclosed
WO-2009128481-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-22 WO 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-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 ICAM1 3858/4885SELE 3892/4885GCK 2/4885

“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.