SCHEMBL2565037

SCHEMBL2565037

COC(=O)C(N)Cc1ccc(Oc2ccc(CC3OC(=O)NC3=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PTGS2 P35354 2/20 0.36
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
ALDH3A1 P30838 1/20 0.35
HTT P42858 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE7A Q13946 1/20 0.33
TTR P02766 1/20 0.32

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
SCHEMBL1384603 0.91 ALDH1A1 (0.41) ALDH1A1HPGDPTGS2KMT2ASMN1; SMN2
SCHEMBL1386874 0.87 ALDH1A1 (0.38) ALDH1A1PTGS2KMT2AMEN1
SCHEMBL1385288 0.87 CARM1 (0.40) ALDH1A1PTGS2KMT2AMEN1
SCHEMBL1384490 0.86 ALDH1A1 (0.38) ALDH1A1PTGS2KMT2AMEN1
SCHEMBL2566905 0.85 ALDH1A1 (0.43) ALDH1A1PTGS2KMT2ASMN1; SMN2LMNA
SCHEMBL1384913 0.84 PTGS2 (0.41) ALDH1A1PTGS2
SCHEMBL1386331 0.84 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1MAPT
SCHEMBL2570335 0.84 PTGS2 (0.36) ALDH1A1PTGS2KMT2AMEN1
SCHEMBL1386286 0.82 ALDH1A1 (0.40) ALDH1A1PTGS2KMT2AMEN1
SCHEMBL1385129 0.81 PTGS2 (0.36) ALDH1A1PTGS2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 EP claimed
US-6794401-B2 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; metabolic Syndrome-X; immunological diseases, inflammation, obesity, hyperlipidemia, hypertension, diabetes; increased leptin level; no liver toxicity; inhibits TNF alpha , IL-6 and IL-1 beta; no affinity for PPAR-g; non-adipogenic BEXEL PHARMACEUTICALS, INC. 2004-09-21 US claimed
US-20040142991-A1 Amino acid phenoxy ethers BEXEL PHARMACEUTICALS, INC. 2004-07-22 US claimed
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 EP disclosed
EP-1583529-A4 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1583529-A2 AMINO ACID PHENOXY ETHERS Bexel Pharmaceuticals Inc (US) 2005-10-12 EP disclosed
US-20050096366-A1 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; obesity, inflammation, autoimmune diseases (multiple sclerosis and rheumatoid arthritis); increase the leptin level; no liver toxicity; inhibits TNF- alpha , IL-1, IL-6, IL-1 beta and cyclooxygenase COX-2; no affinity for PPAR-g; non-adipogenic. BEXEL PHARMACEUTICALS, INC. 2005-05-05 US disclosed
US-6794401-B2 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; metabolic Syndrome-X; immunological diseases, inflammation, obesity, hyperlipidemia, hypertension, diabetes; increased leptin level; no liver toxicity; inhibits TNF alpha , IL-6 and IL-1 beta; no affinity for PPAR-g; non-adipogenic BEXEL PHARMACEUTICALS, INC. 2004-09-21 US disclosed
WO-2004066964-A2 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
US-20040142991-A1 Amino acid phenoxy ethers BEXEL PHARMACEUTICALS, INC. 2004-07-22 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 (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-20040142991-A1 Amino acid phenoxy ethers IL4I1, DNPEP, GPR119 ALDH1A1 3765/4885HPGD 3216/4885NPSR1 885/4885
US-20050096366-A1 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; obesity, inflammation, autoimmune diseases (multiple sclerosis and rheumatoid arthritis); increase the leptin level; no liver toxicity; inhibits TNF- alpha , IL-1, IL-6, IL-1 beta and cyclooxygenase COX-2; no affinity for PPAR-g; non-adipogenic. PPARA, PPARG, PPARD ALDH1A1 263/4885HPGD 381/4885NPSR1 3293/4885

“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.