SCHEMBL10240434

SCHEMBL10240434

CCc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CC(=O)O)S4)cc3c2)cn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
GCK P35557 1/20 0.30
KAT2B Q92831 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
SCHEMBL10240439 0.94 P2RX3 (0.32) P2RX3P2RX2GCK
SCHEMBL564443 0.93 GCK (0.36) P2RX3P2RX2GCK
SCHEMBL564289 0.92 GCK (0.32) GCK
SCHEMBL563780 0.90 GCK (0.34) GCK
SCHEMBL563538 0.89 GCK (0.39) GCK
SCHEMBL10240397 0.88 FFAR1 (0.32) P2RX3GCKKAT2B
SCHEMBL12734365 0.88 GCK (0.32) GCK
SCHEMBL564516 0.87 GCK (0.34) GCK
SCHEMBL10240411 0.86 GCK (0.33) P2RX3P2RX2GCK
SCHEMBL12734400 0.86 S1PR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 P2RX3 2661/4885P2RX2 2746/4885GCK 5/4885

“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.