SCHEMBL4122871

SCHEMBL4122871

Cc1c(SCc2ccccc2C#N)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FEN1 P39748 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
XDH P47989 1/20 0.36
CTSB P07858 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL4122008 0.83 GLRA3 (0.49) GLRA3GLRBMEN1KMT2APOLB
SCHEMBL4121740 0.82 GLRA3 (0.43) ALDH1A1GLRA3GLRBATMMEN1
SCHEMBL4127630 0.79 GLRA3 (0.43) ALDH1A1GLRA3GLRBMAPT
SCHEMBL9417723 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15ATMHSD17B10MEN1
SCHEMBL4129405 0.77 GLRA3 (0.48) ALDH1A1GLRA3GLRBMEN1KMT2A
SCHEMBL4136193 0.77 GAA (0.44) ALDH1A1GLRA3GLRBMEN1KMT2A
SCHEMBL4128600 0.76 GLRA3 (0.44) ALDH1A1GLRA3GLRBMEN1KMT2A
SCHEMBL2791084 0.76 GLRA3 (0.59) ALDH1A1GLRA3GLRBALOX15HSD17B10
SCHEMBL4128502 0.75 GLRA3 (0.46) ALDH1A1GLRA3GLRBATMMEN1
SCHEMBL4123091 0.75 GLRA3 (0.46) GLRA3GLRBMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO claimed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 ALDH1A1 1413/4885GLRA3 6/4885GLRB 2/4885

“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.