SCHEMBL3605714

SCHEMBL3605714

COC(=O)c1ccc(NC(=O)C(F)(F)F)c(C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.58
▸ PDK1 Q15118 2/20 0.54
▸ PDK2 Q15119 2/20 0.54
▸ PDK3 Q15120 2/20 0.54
▸ PDK4 Q16654 2/20 0.54
▸ ALDH1A1 P00352 9/20 0.48
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ATM Q13315 3/20 0.47
▸ GLA P06280 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ NOTUM Q6P988 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44

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
SCHEMBL6218278 0.91 KDM4E (0.49) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL3603041 0.90 PDK1 (0.48) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL19058584 0.85 PDK2 (0.54) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL219552 0.84 ALDH1A1 (0.59) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL979300 0.84 PDK2 (0.53) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL5209585 0.82 KDM4E (0.63) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL24842546 0.82 KDM4E (0.55) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL5440723 0.82 CA12 (0.56) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1173751 0.81 KDM4E (0.54) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL27953738 0.80 KMT2A (0.63) KDM4EPDK1PDK2PDK3PDK4

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
US-7803811-B2 1,2,3-substituted indolizine derivatives, inhibitors of FGFs, method for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-09-28 — — US disclosed
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2009-01-22 — — US disclosed
US-7442708-B2 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-10-28 — — US disclosed
US-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI (FR) 2005-09-15 — — US 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 (2 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-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same FGFR3, FGFR1, NTRK3 KDM4E 3542/4885PDK1 2430/4885PDK2 1447/4885
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them FGF2, FGF1, FGFR1 KDM4E 2425/4885PDK1 2153/4885PDK2 1295/4885

“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.

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