SCHEMBL4121815

SCHEMBL4121815

Cc1c(S(=O)(=O)c2ccc(Cl)cc2Cl)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
HSD11B1 P28845 1/20 0.40
NR1H4 Q96RI1 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ACLY P53396 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DPP4 P27487 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
ITGA1 P56199 2/20 0.34
AKR1B1 P15121 1/20 0.34
EDNRA P25101 1/20 0.34
FLT1 P17948 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
SCHEMBL4123015 0.90 GLRA3 (0.47) GLRA3GLRBNR1H4SMN1; SMN2TP53
SCHEMBL4115741 0.90 GLRA3 (0.53) GLRA3GLRBHSD11B1NR1H4SMN1; SMN2
SCHEMBL4114834 0.88 GLRA3 (0.44) GLRA3GLRBHSD11B1SMN1; SMN2TP53
SCHEMBL4123686 0.86 GLRA3 (0.50) GLRA3GLRBNR1H4SMN1; SMN2TP53
SCHEMBL4123599 0.85 GLRA3 (0.49) GLRA3GLRBHSD11B1SMN1; SMN2TP53
SCHEMBL4127656 0.84 KIF18A (0.49) GLRA3GLRBNR1H4SMN1; SMN2LMNA
SCHEMBL4128535 0.82 SMN1; SMN2 (0.41) HSD11B1SMN1; SMN2TP53LMNAPTGDR2
SCHEMBL4128688 0.82 GLRA3 (0.46) GLRA3GLRBSMN1; SMN2TP53CYP2C9
SCHEMBL4120814 0.81 GLRA3 (0.48) GLRA3GLRBNR1H4SMN1; SMN2TP53
SCHEMBL4134036 0.81 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2TP53CYP2C9

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 2/4885HSD11B1 1109/4885

“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.