SCHEMBL2809568

SCHEMBL2809568

O=C(Nc1ccc2[nH]c(=O)oc2c1)c1csc(C2CCN(C(=O)OCc3ccc(C(F)(F)F)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 12/20 0.52
ATXN2 Q99700 7/20 0.52
KCNH2 Q12809 2/20 0.48
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43

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
SCHEMBL2814527 0.92 GRIN2D (0.49) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL16927734 0.91 ENPP2 (0.45) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL2806611 0.89 ENPP2 (0.55) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL2810110 0.89 ENPP2 (0.47) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL13129758 0.88 ENPP2 (0.46) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL2807156 0.88 ENPP2 (0.46) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL2814507 0.87 ENPP2 (0.54) ENPP2ATXN2KCNH2
SCHEMBL2806581 0.84 GRIN2D (0.46) ENPP2ATXN2KCNH2GRIN2DGRIN3B
SCHEMBL16927757 0.82 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2806828 0.80 ENPP2 (0.48) ENPP2ATXN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed

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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 ENPP2 4652/4885ATXN2 2204/4885KCNH2 254/4885

“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.