SCHEMBL2248484

SCHEMBL2248484

COC(=O)c1ccc(C2(c3cc(Cl)c(O)c(I)c3)CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
PDK2 Q15119 3/20 0.33
PDK1 Q15118 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
IP6K1 Q92551 1/20 0.33
ACLY P53396 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL2250158 0.81 CA1 (0.51) MAPTMEN1KMT2ACA12CA1
SCHEMBL2246402 0.79 RXRA (0.41) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL2244301 0.76 CNR2 (0.34) CNR2PDK2PDK1PDK3PDK4
SCHEMBL2247705 0.74 HPGD (0.40) MAPTMEN1KMT2ACA12CA1
SCHEMBL2244057 0.74 STS (0.44) MAPTKMT2ACA1CA2ALDH1A1
SCHEMBL2250878 0.73 P2RY6 (0.39) MAPTMEN1KMT2ACA12CA1
SCHEMBL2247636 0.71 CA1 (0.53) MAPTMEN1KMT2ACA12CA1
SCHEMBL2247348 0.71 SMN1; SMN2 (0.47) CNR2MAPTMEN1KMT2A
SCHEMBL2245921 0.69 MAOB (0.52)
SCHEMBL2248675 0.69 P2RY6 (0.36) MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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 (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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CNR2 95/4885PDK2 826/4885PDK1 2216/4885

“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.