SCHEMBL4122049

SCHEMBL4122049

Cc1c(Sc2ccc(Cl)cc2Cl)cc(C(C)C)c(O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.42
ICAM1 P05362 6/20 0.42
ITGAL P20701 6/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPK14 Q16539 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
USP7 Q93009 2/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 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
SCHEMBL4129271 0.81 GLRA3 (0.47) ITGB2ICAM1ITGALMEN1ALDH1A1
SCHEMBL2787398 0.75 FABP3 (0.46) GABRA1GABRB1LMNADPP4LDHA
SCHEMBL4114060 0.75 LMNA (0.40) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL4128535 0.75 SMN1; SMN2 (0.41) ALDH1A1MAPTGABRA1GABRB1LMNA
SCHEMBL4122107 0.71 PTGES (0.42) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL4113656 0.71 GLRA3 (0.47) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL4116277 0.70 GLRA3 (0.53) ITGB2ICAM1ITGALMEN1ALDH1A1
SCHEMBL4115561 0.69 SMN1; SMN2 (0.52) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL4122301 0.69 GLRA3 (0.44) ALDH1A1MAPTHTTMAPK14POLB
SCHEMBL8530466 0.68 ALDH1A1 (0.58) ITGB2ICAM1ITGALMEN1ALDH1A1

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 ITGB2 4249/4885ICAM1 4302/4885ITGAL 3382/4885

“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.