SCHEMBL3550944

SCHEMBL3550944

CCS(=O)(=O)c1ccc(Oc2ccc(C#N)nc2Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
SLC22A12 Q96S37 12/20 0.35
GCK P35557 1/20 0.35
P2RX3 P56373 3/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3543463 0.79 SLC22A12 (0.35) SLC22A12GCK
SCHEMBL3539198 0.78 NFE2L2 (0.42) GCKTSHR
SCHEMBL3544609 0.72 S1PR4 (0.38) GCK
SCHEMBL3542130 0.71 MPO (0.35) GCK
SCHEMBL2644698 0.70 NFE2L2 (0.36) GCK
SCHEMBL2645858 0.70 POLB (0.42) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL3540210 0.69 GCK (0.35) GCK
SCHEMBL2645411 0.68 ALDH1A1 (0.34) SLC22A12GCK
SCHEMBL2646549 0.68 GCK (0.36) GCK
SCHEMBL12924641 0.68 NFE2L2 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 EP disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 US disclosed
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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 (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-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE GCKR, GPR119, GCK CCR2 1071/4885SLC22A12 1201/4885GCK 3/4885

“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.