SCHEMBL4128535

SCHEMBL4128535

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
LDHA P00338 3/20 0.37
LDHB P07195 3/20 0.37
HSD11B1 P28845 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ALB P02768 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 1/20 0.35
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
AKR1B1 P15121 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ITGA1 P56199 1/20 0.34
EDNRA P25101 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
SCHEMBL4115561 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPTTP53GAALDHA
SCHEMBL4121815 0.82 GLRA3 (0.47) SMN1; SMN2TP53HSD11B1PTGDR2LMNA
SCHEMBL4127859 0.75 MCL1 (0.39) MAPTGAALDHALDHBGABRA1
SCHEMBL4122049 0.75 ITGB2 (0.42) MAPTLDHALDHBGABRA1GABRB1
SCHEMBL2787398 0.74 FABP3 (0.46) GAALDHALDHBGABRA1GABRB1
SCHEMBL4132975 0.73 KMT2A (0.44) SMN1; SMN2MAPTTP53GAAHSD11B1
SCHEMBL4123015 0.72 GLRA3 (0.47) SMN1; SMN2MAPTTP53PTGDR2ALDH1A1
SCHEMBL4115741 0.72 GLRA3 (0.53) SMN1; SMN2TP53HSD11B1LMNAALDH1A1
SCHEMBL4114834 0.71 GLRA3 (0.44) SMN1; SMN2TP53HSD11B1PTGDR2DPP4
SCHEMBL6335085 0.69 AKR1B1 (0.56) MAPTTP53HSD11B1LMNAALDH1A1

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 SMN1; SMN2 2423/4885MAPT 3830/4885TP53 3809/4885

“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.