SCHEMBL12458917

SCHEMBL12458917

CCOCn1cnc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GRM2 Q14416 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAPK1 P28482 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM5 P41594 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL14225445 0.85 MEN1 (0.44) KMT2AMEN1GRM2SMYD3NOTUM
SCHEMBL14152089 0.84 PLA2G4A (0.43) SMYD3NOTUM
SCHEMBL7425205 0.83 SMYD3 (0.50) KMT2AMEN1GRM2SMYD3NOTUM
SCHEMBL2549674 0.82 MEN1 (0.39) KMT2AMEN1GRM2SMYD3MAPK1
SCHEMBL21090489 0.81 MEN1 (0.38) KMT2AMEN1GRM2SMYD3MAPK1
SCHEMBL2282033 0.81 CPB2 (0.45) KMT2AMEN1GRM2SMYD3MAPK1
SCHEMBL4891287 0.79 MEN1 (0.44) KMT2AMEN1GRM2SMYD3NOTUM
SCHEMBL14151307 0.78 NOTUM (0.48) KMT2AMEN1NOTUM
Bicarbonate SCHEMBL7419537 0.78 SMYD3 (0.46) KMT2AMEN1GRM2SMYD3NOTUM
SCHEMBL26641151 0.78 KMT2A (0.42) KMT2AMEN1GRM2SMYD3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537831-B1 IMIDAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-12-03 EP disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 US disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 US disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 US disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 US disclosed
WO-2011102404-A1 IMIDAZOLE DERIVATIVE 第一三共株式会社 (JP) 2011-08-25 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-20120316170-A1 Imidazole Derivative S1PR2, S1PR1, SPHK2 KMT2A 2089/4885MEN1 1337/4885GRM2 4567/4885

“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.