SCHEMBL1686166

SCHEMBL1686166

CC(=O)NC(Cc1ccccc1B(O)O)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
MMP8 P22894 1/20 0.42
LIPG Q9Y5X9 1/20 0.39
CTRB1 P17538 3/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LIPE Q05469 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL1686141 0.81 ALDH1A1 (0.67) ALDH1A1RECQLMMP8LIPGMAPT
SCHEMBL28168069 0.78 ALDH1A1 (0.67) ALDH1A1RECQLMMP8CTRB1MAPT
SCHEMBL7425417 0.78 CYP2C19 (0.47) ALDH1A1MAPTCYP3A4TSHR
SCHEMBL7362946 0.77 LIPG (0.43) LIPGLIPE
SCHEMBL339395 0.73 ALDH1A1 (0.56) ALDH1A1RECQLMMP8MAPTTSHR
SCHEMBL8315892 0.73 PKM (0.48) MAPTMTNR1A
SCHEMBL12494192 0.71 SETDB1 (0.50) ALDH1A1LIPGMTNR1AMTNR1B
SCHEMBL410387 0.71 LIPG (0.61) ALDH1A1LIPGMAPTLIPE
SCHEMBL29468961 0.71 LIPG (0.61) ALDH1A1LIPGMAPTLIPE
SCHEMBL29166051 0.71 FDPS (0.45) ALDH1A1RECQLMMP8MAPTATM

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-20110104076-A1 Compositions, Methods For Preparing Amino Acids And Nuclear Magnetic Resonance Spectroscopy GLYCONIX CORPORATION 2011-05-05 US disclosed
WO-2007070195-A2 COMPOSITIONS, METHODS OF PREPARING AMINO ACIDS AND NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY GLYCONIX CORPORATION (US) 2007-06-21 WO disclosed
US-20070104648-A1 Compositions, methods of preparing amino acids, and nuclear magnetic resonance spectroscopy GLYCONIX CORPORATION 2007-05-10 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-20110104076-A1 Compositions, Methods For Preparing Amino Acids And Nuclear Magnetic Resonance Spectroscopy BCAT1, BCAT2, SLC3A2 ALDH1A1 3752/4885RECQL 4019/4885MMP8 4420/4885
US-20070104648-A1 Compositions, methods of preparing amino acids, and nuclear magnetic resonance spectroscopy BCAT1, BCAT2, SLC3A2 ALDH1A1 3717/4885RECQL 4180/4885MMP8 4571/4885

“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.