SCHEMBL4122728

SCHEMBL4122728

Cc1c(C(=O)c2ccc(OC(F)(F)F)cc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
FEN1 P39748 1/20 0.39
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.38
HPD P32754 1/20 0.38
PDE5A O76074 1/20 0.37
VNN1 O95497 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL4122832 0.88 LTC4S (0.43) GLRA3GLRBFEN1EPHX2HPD
SCHEMBL4121830 0.84 GLRA3 (0.48) GLRA3GLRBAKR1C2TRPV1EPHX2
SCHEMBL4127543 0.84 GLRA3 (0.50) GLRA3GLRBNPC1RAB9ADHODH
SCHEMBL4122437 0.84 GLRA3 (0.53) GLRA3GLRBNPC1
SCHEMBL4116615 0.83 GLRA3 (0.51) GLRA3GLRBAKR1C2AKR1C1EPHX2
SCHEMBL4113584 0.82 GLRA3 (0.54) GLRA3GLRB
SCHEMBL4115756 0.82 GLRA3 (0.50) GLRA3GLRBNPC1RAB9A
SCHEMBL2789123 0.81 GLRA3 (0.47) GLRA3GLRBAKR1C2AKR1C1AURKA
SCHEMBL4128035 0.78 GLRA3 (0.43) GLRA3GLRBAKR1C2AKR1C1AURKA
SCHEMBL4114551 0.78 RHEB (0.44) GLRA3GLRBAKR1C2AKR1C1AURKA

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 2/4885AKR1C2 838/4885

“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.