SCHEMBL1556908

SCHEMBL1556908

CCC(C(=O)O)c1ccc(N)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.51
AKR1C2 P52895 18/20 0.51
AKR1C1 Q04828 3/20 0.51
PTGS1 P23219 1/20 0.51
AKR1B10 O60218 2/20 0.46
AKR1C4 P17516 2/20 0.46
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL2656910 0.84 AKR1C3 (0.55) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL20943203 0.83 AKR1C3 (0.51) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL1590117 0.82 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL1590616 0.82 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL11193984 0.81 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL11192581 0.80 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL5099274 0.80 ALDH1A1 (0.60) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL28295994 0.78 CYP3A4 (0.46) PTGS1ADRA1A
SCHEMBL1574429 0.78 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL8092960 0.78 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086921-A1 Novel Polymorphic Forms of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
EP-2307351-A2 NOVEL SALTS OF (4-{Ý(5-{Ý(3-CHLOROPHENYL)METHYL¨OXY}-2-METHYLPHENYL)CARBONYL¨AMINO}-3-METHYLPHENYL)ACETIC ACID Glaxo Group Limited (GB) 2011-04-13 EP disclosed
US-20110082209-A1 Novel Salts of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid GLAXO GROUP LIMITED (GB) 2011-04-07 US disclosed
EP-2303832-A1 NOVEL POLYMORPHIC FORMS OF (4-{[(5-{[(3-CHLOROPHENYL)METHYL]OXY}-2-METHYLPHENYL)CARBONYL]AMINO}-3-METHYLPHENYL)ACETIC ACID Glaxo Group Limited (GB) 2011-04-06 EP 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 (2 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-20110082209-A1 Novel Salts of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid ACMSD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ACACA AKR1C3 523/4885AKR1C2 320/4885AKR1C1 752/4885
US-20110086921-A1 Novel Polymorphic Forms of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid CYP3A43, HLA-DRB1, UGT1A3 AKR1C3 62/4885AKR1C2 56/4885AKR1C1 73/4885

“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.