SCHEMBL20876830

SCHEMBL20876830

C=CCOc1ccc(CC(C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.46
PPARA Q07869 6/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PPARD Q03181 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL20876829 1.00 PPARG (0.46) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL29634016 0.91 PPARG (0.41) PPARGPPARAITGB3ITGA2BKMT2A
SCHEMBL29633682 0.90 ITGB3 (0.38) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL29633904 0.89 PPARG (0.40) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL31370590 0.88 PPARG (0.52) PPARGPPARAITGB3ITGA2BKMT2A
SCHEMBL31688786 0.88 PPARG (0.44) PPARGPPARAITGB3ITGA2BKMT2A
SCHEMBL25356297 0.88 PPARG (0.38) PPARGPPARAITGB3ITGA2BKMT2A
SCHEMBL25356301 0.88 PPARG (0.38) PPARGPPARAITGB3ITGA2BKMT2A
SCHEMBL31370340 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2BKMT2A
SCHEMBL16634664 0.87 ITGB3 (0.54) PPARGPPARAITGB3ITGA2BPPARD

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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-11492375-B2 Cyclic peptide immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-08 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
US-20200291069-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-17 US disclosed
EP-3692053-A1 IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2020-08-12 EP disclosed
WO-2019070643-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-11 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 (5 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-20200291069-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 PPARG 1122/4885PPARA 755/4885ITGB3 3764/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PPARG 1123/4885PPARA 658/4885ITGB3 4722/4885
US-11492375-B2 Cyclic peptide immunomodulators CD274, PDCD1, PDCD1LG2 PPARG 1855/4885PPARA 1176/4885ITGB3 4243/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PPARG 1123/4885PPARA 658/4885ITGB3 4722/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR PPARG 1123/4885PPARA 658/4885ITGB3 4722/4885

“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.