SCHEMBL12448166

SCHEMBL12448166

CC(C)NC(=O)NC[C@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL12448169 1.00 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16556409 1.00 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL941571 0.85 EPHX1 (0.43) EPHX1ALDH1A1MAPTCYP2D6CYP2C19
SCHEMBL777387 0.83 MAPT (0.59) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14508451 0.80 EPHX1 (0.44) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2625573 0.80 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16437476 0.79 EPHX1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL20718464 0.79 ALDH1A1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2625569 0.79 EPHX1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4071052 0.79 EPHX1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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 (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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK EPHX1 2013/4885ALDH1A1 4754/4885MAPT 1262/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB EPHX1 2711/4885ALDH1A1 4626/4885MAPT 1186/4885

“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.