SCHEMBL4132943

SCHEMBL4132943

Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.51
GLRB P48167 1/20 0.51
RXRB P28702 6/20 0.42
RXRA P19793 5/20 0.42
RXRG P48443 4/20 0.40
DHODH Q02127 2/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TACR1 P25103 3/20 0.34
AKR1C1 Q04828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34

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
SCHEMBL2790732 0.87 GLRA3 (0.47) GLRA3GLRBRXRBRXRADHODH
SCHEMBL4115603 0.84 GLRA3 (0.51) GLRA3GLRBRXRBRXRARXRG
SCHEMBL2789439 0.83 GLRA3 (0.54) GLRA3GLRBDHODHCA2CA1
SCHEMBL4122027 0.82 GLRA3 (0.69) GLRA3GLRBCA2CA1CYP1A2
SCHEMBL2789477 0.80 GLRA3 (0.57) GLRA3GLRBAKR1C3AKR1C2CA2
SCHEMBL2787696 0.80 GLRA3 (0.53) GLRA3GLRBDHODHCA2CA1
SCHEMBL4121331 0.78 GLRA3 (0.48) GLRA3GLRBRXRBRXRARXRG
SCHEMBL4113848 0.78 GLRA3 (0.48) GLRA3GLRBRXRBRXRARXRG
SCHEMBL2789496 0.77 GLRA3 (0.50) GLRA3GLRBDHODHAKR1C3AKR1C2
SCHEMBL2789123 0.77 GLRA3 (0.47) GLRA3GLRBDHODHAKR1C2CYP2C9

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 2/4885RXRB 239/4885

“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.