SCHEMBL20347176

SCHEMBL20347176

CC(C)(C)OCC(Cc1ccc(-c2cnc(N)nc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAP4K4 O95819 3/20 0.37
NT5E P21589 1/20 0.36
DGAT1 O75907 4/20 0.35
BLM P54132 1/20 0.35
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PDE5A O76074 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
ALOX5AP P20292 4/20 0.33
HIF1A Q16665 1/20 0.33
FEN1 P39748 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL20347165 0.85 ALDH1A1 (0.39) LMNAALDH1A1NT5EBLMFFAR4
SCHEMBL20350730 0.83 MAP4K4 (0.35) LMNAMAP4K4NT5EDGAT1BLM
SCHEMBL20347187 0.82 LMNA (0.44) LMNAALDH1A1BLMMAPTHIF1A
SCHEMBL20347169 0.82 CYP17A1 (0.43) LMNAALDH1A1MAP4K4FFAR4AAK1
SCHEMBL20347171 0.80 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL20347166 0.80 RARB (0.48) LMNAALDH1A1MAPT
SCHEMBL20333693 0.80 NT5E (0.45) LMNAMAP4K4NT5EBLMMAPT
SCHEMBL22216282 0.80 NT5E (0.43) LMNAMAP4K4NT5EDGAT1BLM
SCHEMBL20347196 0.79 MKNK1 (0.47) LMNA
SCHEMBL20347179 0.78 BRS3 (0.46) LMNAALDH1A1FFAR4KCNH2ALOX5AP

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-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
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 (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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 LMNA 2684/4885ALDH1A1 527/4885MAP4K4 3453/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 LMNA 2684/4885ALDH1A1 527/4885MAP4K4 3453/4885

“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.