SCHEMBL4123849

SCHEMBL4123849

Cc1c(-c2ccc(Cl)cc2Cl)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
SRD5A2 P31213 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
ALPL P05186 2/20 0.38
DPP4 P27487 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL4122027 0.84 GLRA3 (0.69) GLRA3GLRBTP53SMN1; SMN2CYP2C9
SCHEMBL4116417 0.80 GLRA3 (0.48) GLRA3GLRBSRD5A2SMN1; SMN2CYP2C9
SCHEMBL4113849 0.79 GLRA3 (0.50) GLRA3GLRBTP53SMN1; SMN2CYP2C9
SCHEMBL2790702 0.79 GLRA3 (0.47) GLRA3GLRBTP53SMN1; SMN2CYP2C9
SCHEMBL4121815 0.79 GLRA3 (0.47) GLRA3GLRBTP53SMN1; SMN2CYP2C9
SCHEMBL4129271 0.79 GLRA3 (0.47) GLRA3GLRBTP53SMN1; SMN2CYP2C9
SCHEMBL4127231 0.78 GLRA3 (0.53) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL1457169 0.78 GLRA3 (0.65) GLRA3GLRBTP53SMN1; SMN2CYP2C9
SCHEMBL4128724 0.77 GLRA3 (0.54) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL2789477 0.76 GLRA3 (0.57) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19

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 4 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
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.