SCHEMBL20347196

SCHEMBL20347196

CC(C)(C)OCC(Cc1ccc(-c2cccnc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.47
MKNK2 Q9HBH9 5/20 0.47
KIF11 P52732 1/20 0.43
CYP2A6 P11509 1/20 0.43
BRS3 P32247 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
NR3C2 P08235 1/20 0.40
PSMB5 P28074 2/20 0.40
LMNA P02545 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
IDO1 P14902 1/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL20347165 0.86 ALDH1A1 (0.39) SLC22A12LMNAWNT3A
SCHEMBL20347169 0.86 CYP17A1 (0.43) KIF11BRS3CYP3A4CYP2D6SLC22A12
SCHEMBL20350710 0.84 MKNK1 (0.46) MKNK1MKNK2KIF11CYP2A6BRS3
SCHEMBL20333727 0.80 MKNK1 (0.49) MKNK1MKNK2KIF11CYP2A6BRS3
SCHEMBL22216487 0.80 MKNK1 (0.49) MKNK1MKNK2KIF11CYP2A6BRS3
SCHEMBL20347171 0.79 ALDH1A1 (0.41) LMNA
SCHEMBL20347166 0.79 RARB (0.48) LMNA
SCHEMBL20347176 0.79 LMNA (0.40) LMNA
SCHEMBL20347179 0.79 BRS3 (0.46) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL20347187 0.76 LMNA (0.44) CYP3A4CYP2D6CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 MKNK1 4515/4885MKNK2 4565/4885KIF11 4615/4885

“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.