SCHEMBL2495129

SCHEMBL2495129

COC(=O)c1ccc(COC(C)=O)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NOTUM Q6P988 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
KDM4E B2RXH2 3/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ESRRG P62508 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10309762 0.84 CFTR (0.49) CFTRALDH1A1HSD17B10NOTUMKDM4E
SCHEMBL2769865 0.82 CA12 (0.48) CFTRALDH1A1HSD17B10NOTUMKDM4E
SCHEMBL16077653 0.81 CYP3A4 (0.47) CYP3A4ALDH1A1HSD17B10KDM4ECA2
SCHEMBL29244656 0.81 CFTR (0.47) CFTRALDH1A1HSD17B10NOTUMKDM4E
SCHEMBL29338521 0.81 CFTR (0.50) CFTRALDH1A1HSD17B10NOTUMKDM4E
SCHEMBL6808895 0.80 CFTR (0.47) CFTRCYP3A4ALDH1A1HSD17B10MRGPRX4
SCHEMBL4679404 0.80 CYP3A4 (0.51) CYP3A4ALDH1A1HSD17B10KDM4ECA2
SCHEMBL27558056 0.80 CYP3A4 (0.48) CYP3A4ALDH1A1NOTUMAR
SCHEMBL3898889 0.79 CFTR (0.44) CFTRALDH1A1HSD17B10NOTUMKDM4E
SCHEMBL23662563 0.78 CYP3A4 (0.47) CYP3A4ALDH1A1HSD17B10KDM4ECA2

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-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
CN-101098870-B Novel fused imidazole derivative BANYU PHARMA CO LTD 2010-11-03 CN disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
CN-101098870-A Novel fused imidazole derivative BANYU PHARMA CO LTD (JP) 2008-01-02 CN 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 CFTR 1873/4885CYP3A4 26/4885ALDH1A1 1939/4885

“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.