SCHEMBL4121024

SCHEMBL4121024

Cc1c(SCc2cccnc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
DAO P14920 2/20 0.41
GFER P55789 2/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
HPGD P15428 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
NAPRT Q6XQN6 1/20 0.37

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 0.87 GLRA3 (0.49) PPARGGLRA3GLRBGAA
SCHEMBL4123091 0.86 GLRA3 (0.46) PPARGGLRA3GLRBDAOALOX5
SCHEMBL4128600 0.83 GLRA3 (0.44) GLRA3GLRBDAOALDH1A1KDM4E
SCHEMBL4128502 0.80 GLRA3 (0.46) GLRA3GLRBDAOALDH1A1LMNA
SCHEMBL4127521 0.80 CYP1A2 (0.49) GLRA3GLRBDAOALDH1A1KDM4E
SCHEMBL4129405 0.79 GLRA3 (0.48) GLRA3GLRBPTGS2ALDH1A1LMNA
SCHEMBL4136193 0.79 GAA (0.44) PPARGGLRA3GLRBDAOALDH1A1
SCHEMBL4121740 0.76 GLRA3 (0.43) PPARGGLRA3GLRBALOX5ALDH1A1
SCHEMBL4127630 0.75 GLRA3 (0.43) GLRA3GLRBALDH1A1
SCHEMBL4122871 0.74 ALDH1A1 (0.44) GLRA3GLRBALDH1A1KDM4EALOX15

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 PPARG 101/4885GLRA3 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.