SCHEMBL4127859

SCHEMBL4127859

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PFKFB3 Q16875 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
LDHA P00338 4/20 0.37
P2RX3 P56373 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
LDHB P07195 3/20 0.37
ALB P02768 1/20 0.37
HTR6 P50406 2/20 0.36
HCRTR1 O43613 1/20 0.36
SLC1A3 P43003 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
SCHEMBL4128451 0.82 GLRA3 (0.46) MCL1ALDH1A1HTTPFKFB3CYP1A2
SCHEMBL4128535 0.75 SMN1; SMN2 (0.41) ALDH1A1GAAMAPTTSHRLDHA
SCHEMBL4114060 0.75 LMNA (0.40) MCL1ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL4115561 0.75 SMN1; SMN2 (0.52) ALDH1A1GAAMAPTLDHALDHB
SCHEMBL21686487 0.74 CYP1A2 (0.58) MCL1ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL8508718 0.74 ALPL (0.50) MCL1CYP1A2CYP2C19CYP3A4GAA
SCHEMBL4132975 0.72 KMT2A (0.44) MCL1ALDH1A1GAAMAPTNPSR1
SCHEMBL19203291 0.69 CYP1A2 (0.53) MCL1ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL547461 0.68 CA1 (0.68) MCL1TSHRHTR6HCRTR1MEN1
SCHEMBL7193293 0.68 NR4A1 (0.61) ALDH1A1HTTPFKFB3TSHRLDHA

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 MCL1 3098/4885ALDH1A1 1413/4885HTT 1567/4885

“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.