SCHEMBL4115252

SCHEMBL4115252

Cc1c(C(=O)c2ccc(Cl)cc2F)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
NR1H4 Q96RI1 2/20 0.36
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
MYC P01106 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CXCL12 P48061 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33

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
SCHEMBL4116417 0.88 GLRA3 (0.48) GLRA3GLRBNR1H4SMN1; SMN2TSHR
SCHEMBL4115756 0.83 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2TSHRTP53
SCHEMBL4116563 0.80 GLRA3 (0.44) GLRA3GLRBSMN1; SMN2TP53CYP2C9
SCHEMBL4127543 0.78 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2PKMHSD17B1
SCHEMBL4122434 0.76 GLRA3 (0.51) GLRA3GLRBSMN1; SMN2TSHRGAA
SCHEMBL4113584 0.76 GLRA3 (0.54) GLRA3GLRBMYCGAACYP2C9
SCHEMBL4126309 0.76 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2TSHRTP53
SCHEMBL4120741 0.76 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2GAACYP2C9
SCHEMBL4122437 0.75 GLRA3 (0.53) GLRA3GLRBSMN1; SMN2GAACA2
SCHEMBL2788792 0.74 GLRA3 (0.65) GLRA3GLRBSMN1; SMN2GAACA1

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 2/4885NR1H4 121/4885

“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.