SCHEMBL4122301

SCHEMBL4122301

Cc1c(Sc2ccc(F)cc2Cl)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
LDHA P00338 1/20 0.36
POLB P06746 1/20 0.36
DHODH Q02127 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4129271 0.88 GLRA3 (0.47) GLRA3GLRBPOLBSMN1; SMN2TP53
SCHEMBL4134003 0.84 GLRA3 (0.50) GLRA3GLRBLDHAPOLBSMN1; SMN2
SCHEMBL4113656 0.81 GLRA3 (0.47) GLRA3GLRBLDHAPOLBSMN1; SMN2
SCHEMBL4126598 0.81 GLRA3 (0.43) GLRA3GLRBSMN1; SMN2TP53HIF1A
SCHEMBL4114838 0.80 GLRA3 (0.46) GLRA3GLRBLDHASMN1; SMN2TP53
SCHEMBL4121922 0.80 GLRA3 (0.48) GLRA3GLRBDHODHSMN1; SMN2TP53
SCHEMBL4127647 0.79 GLRA3 (0.47) GLRA3GLRBSMN1; SMN2TP53HIF1A
SCHEMBL4121706 0.78 GLRA3 (0.49) GLRA3GLRBPOLBDHODHSMN1; SMN2
SCHEMBL4116277 0.78 GLRA3 (0.53) GLRA3GLRBPOLBSMN1; SMN2HIF1A
SCHEMBL4114834 0.77 GLRA3 (0.44) GLRA3GLRBPOLBDHODHSMN1; 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 3 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 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 2/4885LDHA 2814/4885

“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.