SCHEMBL16766552

SCHEMBL16766552

CC(C)(C)OC(=O)Nc1ncccc1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
METAP1 P53582 1/20 0.43
NAMPT P43490 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP17A1 P05093 1/20 0.40
ATR Q13535 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
SLC13A5 Q86YT5 4/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8609349 0.88 METAP1 (0.42) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL29919808 0.87 METAP1 (0.45) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL69347 0.87 METAP1 (0.45) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL7410153 0.87 METAP1 (0.41) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL27703346 0.86 METAP1 (0.44) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL2696598 0.85 GRM5 (0.46) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL7408740 0.85 METAP1 (0.40) KDM4EMETAP1NAMPTCYP17A1ATR
SCHEMBL28028757 0.85 MAPT (0.44) KDM4ECYP1A2MAPTMETAP1NAMPT
SCHEMBL1769892 0.83 CTDSP1 (0.44) KDM4ECYP1A2MAPTMETAP1NAMPT
SCHEMBL7419909 0.83 METAP1 (0.39) KDM4EMETAP1NAMPTCYP17A1ATR

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-9133185-B2 Heteroaryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-15 US disclosed
US-20150158858-A1 HETEROARYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 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-20150158858-A1 HETEROARYL DERIVATIVES PDE4A, PDE4B, PDE3A KDM4E 2426/4885CYP1A2 201/4885MAPT 4726/4885

“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.