SCHEMBL4121830

SCHEMBL4121830

Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)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
SRD5A2 P31213 4/20 0.47
BCL2L1 Q07817 1/20 0.44
CYP2C8 P10632 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
IGFBP3 P17936 1/20 0.41
EPHX2 P34913 1/20 0.39
DHODH Q02127 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LTC4S Q16873 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL4116615 0.91 GLRA3 (0.51) GLRA3GLRBSRD5A2TDP1EPHX2
SCHEMBL4127543 0.87 GLRA3 (0.50) GLRA3GLRBSRD5A2BCL2L1TDP1
SCHEMBL4122437 0.87 GLRA3 (0.53) GLRA3GLRBSRD5A2TDP1LDHA
SCHEMBL4113584 0.85 GLRA3 (0.54) GLRA3GLRBBCL2L1CYP2C8AKR1C3
SCHEMBL4115756 0.85 GLRA3 (0.50) GLRA3GLRBSRD5A2TDP1NPC1
SCHEMBL4122728 0.84 GLRA3 (0.44) GLRA3GLRBEPHX2DHODHNPC1
SCHEMBL4126309 0.80 GLRA3 (0.48) GLRA3GLRBSRD5A2TDP1IGFBP3
SCHEMBL4120741 0.80 GLRA3 (0.48) GLRA3GLRBBCL2L1LTC4SSMN1; SMN2
SCHEMBL4116563 0.80 GLRA3 (0.44) GLRA3GLRBSRD5A2SMN1; SMN2AKR1C2
SCHEMBL4128153 0.77 GLRA3 (0.44) GLRA3GLRBSRD5A2TDP1SMN1; SMN2

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 2/4885SRD5A2 934/4885

“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.