SCHEMBL4122832

SCHEMBL4122832

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.43
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
KAT6A Q92794 2/20 0.39
HPD P32754 1/20 0.39
FEN1 P39748 1/20 0.39
F10 P00742 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4122728 0.88 GLRA3 (0.44) GLRA3GLRBHPDFEN1MRGPRX4
SCHEMBL4113584 0.82 GLRA3 (0.54) GLRA3GLRBPOLBKDM4EMEN1
SCHEMBL4125922 0.81 PTPN1 (0.43) LTC4SKAT6AHPDF10TAS1R3
SCHEMBL4113709 0.79 GLRA3 (0.44) GLRA3GLRBKAT6APOLBKDM4E
SCHEMBL4121830 0.77 GLRA3 (0.48) LTC4SGLRA3GLRBCYP2C8EPHX2
SCHEMBL4113993 0.77 TP53 (0.49) GLRA3GLRBMEN1ALDH1A1MAPT
SCHEMBL4127543 0.77 GLRA3 (0.50) GLRA3GLRBKDM4EMEN1ALDH1A1
SCHEMBL4122437 0.76 GLRA3 (0.53) GLRA3GLRBPOLBALDH1A1MAPT
SCHEMBL9229632 0.76 POLB (0.55) LTC4SKAT6AGPR139POLBALDH1A1
SCHEMBL9232001 0.76 LTC4S (0.55) LTC4SKAT6ATAS1R3TAS1R1TAS1R2

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 2 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
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US 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 LTC4S 937/4885GLRA3 6/4885GLRB 2/4885

“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.