SCHEMBL4120741

SCHEMBL4120741

Cc1c(C(=O)c2ccccc2C(F)(F)F)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 2/20 0.38
LTC4S Q16873 1/20 0.38
RORC P51449 4/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 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
SCHEMBL4122434 0.86 GLRA3 (0.51) GLRA3GLRBSMN1; SMN2KMT2ACYP3A4
SCHEMBL4113584 0.83 GLRA3 (0.54) GLRA3GLRBKMT2ACYP2C9ALDH1A1
SCHEMBL4121830 0.80 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2LTC4SBCL2L1
SCHEMBL4127543 0.77 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2KMT2AALDH1A1
SCHEMBL4122437 0.76 GLRA3 (0.53) GLRA3GLRBSMN1; SMN2KMT2AALDH1A1
SCHEMBL4115886 0.76 SMN1; SMN2 (0.38) TAS2R14SMN1; SMN2CYP3A4ALDH1A1LMNA
SCHEMBL4115252 0.76 GLRA3 (0.46) GLRA3GLRBSMN1; SMN2CYP2C9GAA
SCHEMBL4116615 0.75 GLRA3 (0.51) GLRA3GLRBSMN1; SMN2ALDH1A1LMNA
SCHEMBL2788080 0.75 GLRA3 (0.62) GLRA3GLRBSMN1; SMN2KMT2ACYP3A4
SCHEMBL4116417 0.75 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2KMT2ACYP2C9

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 2/4885TAS2R14 1051/4885

“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.