SCHEMBL4127543

SCHEMBL4127543

Cc1c(C(=O)c2ccc(F)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
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 1/20 0.37
DHODH Q02127 1/20 0.36
ALOX5 P09917 1/20 0.36
SRD5A2 P31213 1/20 0.36
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 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
SCHEMBL4122437 0.89 GLRA3 (0.53) GLRA3GLRBPTGS1PTGS2KMT2A
SCHEMBL4116615 0.88 GLRA3 (0.51) GLRA3GLRBTDP1AKR1C3SRD5A2
SCHEMBL4113584 0.88 GLRA3 (0.54) GLRA3GLRBPTGS1PTGS2MEN1
SCHEMBL4121830 0.87 GLRA3 (0.48) GLRA3GLRBTDP1AKR1C3DHODH
SCHEMBL4115756 0.87 GLRA3 (0.50) GLRA3GLRBMEN1KMT2AHTT
SCHEMBL4116563 0.84 GLRA3 (0.44) GLRA3GLRBSRD5A2ALDH1A1SMN1; SMN2
SCHEMBL4122728 0.84 GLRA3 (0.44) GLRA3GLRBDHODHNPC1RAB9A
SCHEMBL4126309 0.82 GLRA3 (0.48) GLRA3GLRBHTTTDP1SRD5A2
SCHEMBL4128153 0.79 GLRA3 (0.44) GLRA3GLRBPTGS1PTGS2KDM4E
SCHEMBL2787696 0.78 GLRA3 (0.53) GLRA3GLRBPTGS1PTGS2MEN1

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 2/4885PTGS1 341/4885

“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.