SCHEMBL1385288

SCHEMBL1385288

COC(=O)C(N)Cc1ccc(Oc2ccc(CC3OC(=O)NC3=O)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.40
PRMT6 Q96LA8 3/20 0.40
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 2/20 0.36
PPARG P37231 3/20 0.33
GPR142 Q7Z601 1/20 0.33
NR1I2 O75469 1/20 0.33
AGTR2 P50052 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL1386874 0.91 ALDH1A1 (0.38) ALDH1A1PTGS2PPARGGPR142NR1I2
SCHEMBL2564781 0.91 NR1I2 (0.42) CARM1PRMT6PTGS2PPARGNR1I2
SCHEMBL1384490 0.90 ALDH1A1 (0.38) CARM1PRMT6ALDH1A1PTGS2PPARG
SCHEMBL1384913 0.88 PTGS2 (0.41) ALDH1A1PTGS2PPARGGPR142
SCHEMBL2570335 0.88 PTGS2 (0.36) CARM1PRMT6ALDH1A1PTGS2PPARG
SCHEMBL2565037 0.87 ALDH1A1 (0.55) ALDH1A1PTGS2MEN1KMT2A
SCHEMBL1386286 0.86 ALDH1A1 (0.40) CARM1PRMT6ALDH1A1PTGS2PPARG
SCHEMBL1385129 0.84 PTGS2 (0.36) CARM1PRMT6ALDH1A1PTGS2PPARG
SCHEMBL2568799 0.84 ALDH1A1 (0.38) CARM1PRMT6ALDH1A1PTGS2PPARG
SCHEMBL2568465 0.83 SCN9A (0.34) CARM1PRMT6ALDH1A1PTGS2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833072-B2 2011-12-07 JP claimed
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 EP claimed
EP-1583529-A4 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2007-07-04 EP claimed
EP-1583529-A2 AMINO ACID PHENOXY ETHERS Bexel Pharmaceuticals Inc (US) 2005-10-12 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
WO-2004066964-A9 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2004-09-02 WO claimed
WO-2004066964-A2 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2004-08-12 WO 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
WO-2006125285-A1 INSULIN SENSITIZATION TO SLOW DOWN PUBERTAL TEMPO AND TO AUGMENT PUBERTAL GROWTH K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2006-11-30 WO 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
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 CARM1 801/4885PRMT6 171/4885ALDH1A1 3765/4885
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 CARM1 1073/4885PRMT6 730/4885ALDH1A1 263/4885

“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.