Sugi Predict

Sugi Predict / Compounds / SCHEMBL4127836

SCHEMBL4127836

SCHEMBL4127836

Cc1cccc(CS(=O)(=O)c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.44
▸ GLRB P48167 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ACLY P53396 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 4/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ CTBP2 P56545 1/20 0.35

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
SCHEMBL4121668 0.90 GLRA3 (0.49) GLRA3GLRBALDH1A1KMT2AMRGPRX4
SCHEMBL4116222 0.82 GLRA3 (0.46) GLRA3GLRBALDH1A1KMT2AHPGD
SCHEMBL4114644 0.79 GLRA3 (0.42) GLRA3GLRBALDH1A1KMT2AAKR1C3
SCHEMBL4126146 0.77 GLRA3 (0.43) GLRA3GLRBALDH1A1KMT2ANPSR1
SCHEMBL4128989 0.77 GAA (0.44) GLRA3GLRBALDH1A1KMT2ANPSR1
SCHEMBL4128600 0.77 GLRA3 (0.44) GLRA3GLRBALDH1A1KMT2AMRGPRX4
SCHEMBL4127736 0.74 GLRA3 (0.53) GLRA3GLRBALDH1A1KMT2AHPGD
SCHEMBL4133103 0.73 GLRA3 (0.51) GLRA3GLRBALDH1A1KMT2AHTT
SCHEMBL4120814 0.72 GLRA3 (0.48) GLRA3GLRBALDH1A1KMT2AHPGD
SCHEMBL11814794 0.72 SMN1; SMN2 (0.55) ALDH1A1KMT2AACLYAKR1C3HPGD

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.