SCHEMBL4123542

SCHEMBL4123542

Cc1c(Nc2ccc(Cl)cc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 3/20 0.38
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 2/20 0.35
SLC2A1 P11166 1/20 0.35
MAPKAPK2 P49137 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
SCHEMBL4123534 0.88 GLRA3 (0.53) GLRA3GLRBAKR1C3AKR1C2MEN1
SCHEMBL4121201 0.77 MAPT (0.43) AKR1C3AKR1C2MEN1LMNAPOLB
SCHEMBL4115756 0.75 GLRA3 (0.50) GLRA3GLRBAKR1C3MEN1LMNA
SCHEMBL4121706 0.74 GLRA3 (0.49) GLRA3GLRBMEN1LMNAPOLB
SCHEMBL4130543 0.74 GLRA3 (0.49) GLRA3GLRBLMNAMAPTNR1H4
SCHEMBL4123599 0.74 GLRA3 (0.49) GLRA3GLRBMEN1LMNAPOLB
SCHEMBL1457169 0.74 GLRA3 (0.65) GLRA3GLRBAKR1C2MEN1LMNA
SCHEMBL4123849 0.73 GLRA3 (0.50) GLRA3GLRBAKR1C3AKR1C2LMNA
SCHEMBL7780129 0.72 GLRA3 (0.78) GLRA3GLRBMEN1LMNAPOLB
SCHEMBL4116577 0.72 GLRA3 (0.46) GLRA3GLRBLMNAPOLBKMT2A

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 GLRA3 6/4885GLRB 2/4885AKR1C3 857/4885

“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.