Sugi Predict

Sugi Predict / Compounds / SCHEMBL4113709

SCHEMBL4113709

SCHEMBL4113709

Cc1c(C(=O)c2cccc(C(C)C)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.44
▸ GLRB P48167 1/20 0.44
▸ PTGS1 P23219 4/20 0.39
▸ PTGS2 P35354 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CXCR1 P25024 2/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CXCL8 P10145 1/20 0.39

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
SCHEMBL4113584 0.85 GLRA3 (0.54) GLRA3GLRBPTGS1PTGS2MAPT
SCHEMBL4113993 0.80 TP53 (0.49) GLRA3GLRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4122437 0.79 GLRA3 (0.53) GLRA3GLRBPTGS1PTGS2MAPT
SCHEMBL4122832 0.79 LTC4S (0.43) GLRA3GLRBMAPTALDH1A1RECQL
SCHEMBL4121457 0.79 GLRA3 (0.47) GLRA3GLRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4117083 0.78 PTGS1 (0.39) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL4116615 0.78 GLRA3 (0.51) GLRA3GLRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4126309 0.77 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2ALDH1A1LMNA
SCHEMBL4127543 0.77 GLRA3 (0.50) GLRA3GLRBPTGS1PTGS2SMN1; SMN2
SCHEMBL4115756 0.77 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2LMNAPOLB

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 2/4885PTGS1 341/4885

“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.