SCHEMBL5991259

SCHEMBL5991259

COC(=O)C(O)Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TDO2 P48775 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KDM4A O75164 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ AR P10275 1/20 0.43

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
SCHEMBL5993007 0.85 PPARA (0.48) LTA4HMEN1KMT2AMAPTBACE1
SCHEMBL5991077 0.81 PKM (0.51) MEN1KMT2AMAPTBACE1PKM
SCHEMBL27551193 0.81 ALDH1A1 (0.59) LTA4HMEN1KMT2AMAPTBACE1
SCHEMBL30024032 0.79 CYP1A2 (0.56) MEN1KMT2AMAPTBACE1PKM
SCHEMBL5734032 0.79 CYP1A2 (0.56) MEN1KMT2AMAPTBACE1PKM
SCHEMBL26604899 0.79 MEN1 (0.51) MEN1KMT2AMAPTBACE1PKM
SCHEMBL5991804 0.78 MEN1 (0.51) MEN1KMT2AMAPTBACE1PKM
SCHEMBL14572101 0.78 L3MBTL1 (0.53) MEN1KMT2AMAPTBACE1PKM
SCHEMBL5734037 0.78 CYP4F2 (0.55) LTA4HMEN1KMT2AMAPTBACE1
SCHEMBL30954335 0.78 CYP4F2 (0.55) LTA4HMEN1KMT2AMAPTBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 — — US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 — — US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 — — US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 — — EP disclosed
CN-1312795-A Novel 3-arylpropionic acid derivatives and analogs thereof ASTRA ZENECA AKTIEBOLAG (SE) 2001-09-12 — — CN disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 — — EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 — — 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 (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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 LTA4H 2565/4885MEN1 3620/4885KMT2A 3962/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 LTA4H 2565/4885MEN1 3620/4885KMT2A 3962/4885

“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.

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