SCHEMBL2500942

SCHEMBL2500942

C[C@@H](Oc1c(C(=O)OC(C)(C)C)sc(C(=O)O)c1C(=O)O)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.36
GRM6 O15303 1/20 0.34
PLK3 Q9H4B4 5/20 0.34
CDK2 P24941 1/20 0.34
IKBKE Q14164 1/20 0.34
OPRM1 P35372 2/20 0.32
CYP2C9 P11712 1/20 0.32
LPAR1 Q92633 1/20 0.31
CXCR2 P25025 2/20 0.31
LCK P06239 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
SCHEMBL2505506 0.78 PLK1 (0.36) PLK1PLK3CDK2IKBKEOPRM1
SCHEMBL2502716 0.73 PLK1 (0.44) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL2502714 0.72 PLK1 (0.35) PLK1PLK3CDK2IKBKEOPRM1
SCHEMBL5249932 0.71 PLK1 (0.39) PLK1GRM6PLK3CDK2IKBKE
SCHEMBL5141391 0.71 PLK1 (0.39) PLK1GRM6PLK3CDK2IKBKE
SCHEMBL2494456 0.71 PLK1 (0.41) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL2494455 0.71 PLK1 (0.35) PLK1PLK3CDK2IKBKEOPRM1
SCHEMBL2504743 0.71 KMT2A (0.44) PLK1PLK3CDK2IKBKEOPRM1
SCHEMBL2505508 0.69 PLK1 (0.35) PLK1PLK3CDK2IKBKEOPRM1
SCHEMBL3156557 0.68 PLK1 (0.35) PLK1PLK3CDK2IKBKECYP2C9

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-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 PLK1 4301/4885GRM6 2221/4885PLK3 3835/4885

“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.