SCHEMBL4127630

SCHEMBL4127630

Cc1c(SCc2cccc(F)c2F)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
CXCR2 P25025 15/20 0.37
RIPK1 Q13546 1/20 0.36
CCR7 P32248 1/20 0.33
CXCR1 P25024 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL4121740 0.83 GLRA3 (0.43) GLRA3GLRBALDH1A1
SCHEMBL4122008 0.81 GLRA3 (0.49) GLRA3GLRBP2RX3
SCHEMBL4128600 0.80 GLRA3 (0.44) GLRA3GLRBALDH1A1MAPTTAAR1
SCHEMBL4114644 0.79 GLRA3 (0.42) GLRA3GLRBRIPK1ALDH1A1
SCHEMBL4122871 0.79 ALDH1A1 (0.44) GLRA3GLRBALDH1A1MAPT
SCHEMBL4127521 0.76 CYP1A2 (0.49) GLRA3GLRBALDH1A1MAPT
SCHEMBL4123091 0.76 GLRA3 (0.46) GLRA3GLRBMAPT
SCHEMBL4128502 0.76 GLRA3 (0.46) GLRA3GLRBALDH1A1MAPT
SCHEMBL4136193 0.76 GAA (0.44) GLRA3GLRBALDH1A1MAPT
SCHEMBL4129405 0.75 GLRA3 (0.48) GLRA3GLRBALDH1A1P2RX3

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 2/4885CXCR2 893/4885

“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.