Sugi Predict

Sugi Predict / Compounds / SCHEMBL1557729

SCHEMBL1557729

SCHEMBL1557729

CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ RECQL P46063 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MMP8 P22894 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ BLM P54132 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ PTPN2 P17706 1/20 0.39

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
SCHEMBL1557733 0.95 ALDH1A1 (0.45) ALDH1A1RECQLL3MBTL1SMN1; SMN2NPC1
SCHEMBL1557731 0.95 ALDH1A1 (0.45) ALDH1A1RECQLL3MBTL1SMN1; SMN2NPC1
SCHEMBL2429855 0.90 ALDH1A1 (0.44) ALDH1A1RECQLL3MBTL1SMN1; SMN2NPC1
SCHEMBL2429856 0.85 ALDH1A1 (0.43) ALDH1A1RECQLL3MBTL1SMN1; SMN2NPC1
SCHEMBL2429859 0.85 ALDH1A1 (0.43) ALDH1A1RECQLL3MBTL1SMN1; SMN2NPC1
SCHEMBL7444744 0.84 ALDH1A1 (0.54) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL13968014 0.81 MAPT (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3735339 0.78 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1606314 0.77 TSHR (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL11275525 0.74 THRB (0.48) ALDH1A1TSHRMEN1KMT2AMAPK1

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 ALDH1A1 170/4885RECQL 4500/4885L3MBTL1 4671/4885
US-20110086921-A1 Novel Polymorphic Forms of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid CYP3A43, HLA-DRB1, UGT1A3 ALDH1A1 51/4885RECQL 1634/4885L3MBTL1 3355/4885

“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.