SCHEMBL4128451

SCHEMBL4128451

Cc1c(S(=O)(=O)c2cccc3ccccc23)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
PFKFB3 Q16875 1/20 0.40
TSHR P16473 1/20 0.38
P2RX3 P56373 1/20 0.38
MCL1 Q07820 3/20 0.38
HTR6 P50406 2/20 0.37
HCRTR1 O43613 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL4127859 0.82 MCL1 (0.39) ALDH1A1HTTPFKFB3TSHRP2RX3
SCHEMBL4127736 0.82 GLRA3 (0.53) GLRA3GLRBALDH1A1HTR6MEN1
SCHEMBL4128688 0.81 GLRA3 (0.46) GLRA3GLRBALDH1A1TSHRMEN1
SCHEMBL4114911 0.79 KMT2A (0.50) GLRA3GLRBALDH1A1HTTTSHR
SCHEMBL4115492 0.79 GLRA3 (0.49) GLRA3GLRBALDH1A1P2RX3MCL1
SCHEMBL4120814 0.78 GLRA3 (0.48) GLRA3GLRBALDH1A1MEN1HPGD
SCHEMBL4123406 0.77 GLRA3 (0.47) GLRA3GLRBALDH1A1TSHRP2RX3
SCHEMBL4133103 0.76 GLRA3 (0.51) GLRA3GLRBALDH1A1HTTMEN1
SCHEMBL4123686 0.75 GLRA3 (0.50) GLRA3GLRBALDH1A1TSHRMEN1
SCHEMBL4127131 0.75 KMT2A (0.49) GLRA3GLRBALDH1A1HTTMEN1

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 2/4885ALDH1A1 1413/4885

“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.