SCHEMBL4115756

SCHEMBL4115756

Cc1c(C(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.50
GLRB P48167 1/20 0.50
NR4A1 P22736 1/20 0.47
SRD5A2 P31213 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
FABP2 P12104 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL4122437 0.89 GLRA3 (0.53) GLRA3GLRBSRD5A2KMT2ATDP1
SCHEMBL4123639 0.89 GLRA3 (0.57) GLRA3GLRBNR4A1SRD5A2MEN1
SCHEMBL4116615 0.88 GLRA3 (0.51) GLRA3GLRBSRD5A2RAB9ASIRT1
SCHEMBL4113584 0.88 GLRA3 (0.54) GLRA3GLRBMEN1KMT2ACYP2C9
SCHEMBL4126309 0.87 GLRA3 (0.48) GLRA3GLRBSRD5A2RAB9ATDP1
SCHEMBL4127543 0.87 GLRA3 (0.50) GLRA3GLRBSRD5A2MEN1KMT2A
SCHEMBL4116572 0.85 GLRA3 (0.46) GLRA3GLRBNR4A1KMT2ARAB9A
SCHEMBL4116577 0.85 GLRA3 (0.46) GLRA3GLRBNR4A1KMT2ARAB9A
SCHEMBL4121830 0.85 GLRA3 (0.48) GLRA3GLRBSRD5A2RAB9ATDP1
SCHEMBL4116417 0.85 GLRA3 (0.48) GLRA3GLRBSRD5A2MEN1KMT2A

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 2/4885NR4A1 409/4885

“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.