SCHEMBL2777683

SCHEMBL2777683

COc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 3/20 0.51
TP53 P04637 4/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
STS P08842 1/20 0.44
EPHX2 P34913 2/20 0.43
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
NAMPT P43490 1/20 0.42
KDM1A O60341 1/20 0.42
THRB P10828 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3919908 0.92 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTALDH1A1TP53
SCHEMBL1001879 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL3491340 0.83 NAMPT (0.46) SMN1; SMN2LMNAMAPTTP53MEN1
SCHEMBL2470592 0.80 TSHR (0.58) SMN1; SMN2LMNAMAPTALDH1A1TP53
SCHEMBL1973194 0.80 GAA (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL2781482 0.78 GPR119 (0.41) SMN1; SMN2TP53MEN1KMT2ACYP2C19
SCHEMBL12493302 0.78 MAPT (0.55) SMN1; SMN2LMNAMAPTALDH1A1TP53
SCHEMBL13510871 0.78 GAA (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL28525675 0.78 LMNA (0.55) SMN1; SMN2LMNAMAPTALDH1A1TP53
SCHEMBL19033759 0.77 CYP2C19 (0.54) SMN1; SMN2LMNAALDH1A1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 SMN1; SMN2 2711/4885LMNA 1963/4885MAPT 661/4885

“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.