SCHEMBL1740226

SCHEMBL1740226

CCOc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
MDM2 Q00987 1/20 0.49
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
CASP3 P42574 1/20 0.48
PTPN1 P18031 1/20 0.47
TLR2 O60603 1/20 0.47

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
SCHEMBL29022402 1.00 PPARG (0.53) PPARGPPARAMDM4TP53MDM2
SCHEMBL31437101 1.00 PPARG (0.53) PPARGPPARAMDM4TP53MDM2
SCHEMBL30477935 1.00 PPARG (0.53) PPARGPPARAMDM4TP53MDM2
SCHEMBL19262281 0.92 ITGB3 (0.55) PPARGPPARAMDM2ITGB3ITGA2B
SCHEMBL13261088 0.92 ITGB3 (0.55) PPARGPPARAMDM2ITGB3ITGA2B
SCHEMBL30464881 0.92 ITGB3 (0.55) PPARGPPARAMDM2ITGB3ITGA2B
SCHEMBL29772687 0.90 ITGB3 (0.51) MDM4TP53MDM2ITGB3ITGA2B
SCHEMBL31097650 0.90 MDM4 (0.51) MDM4TP53MDM2ITGB3ITGA2B
SCHEMBL2305323 0.90 ITGB3 (0.57) PPARGITGB3ITGA2BPTPN1
SCHEMBL2305316 0.90 ITGB3 (0.57) PPARGITGB3ITGA2BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2026-01-22 US disclosed
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 US disclosed
US-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2025-05-22 US disclosed
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2024-12-12 US disclosed
CN-112920086-B Preparation method of L-tyrosine derivative 长兴宜生药物科技有限公司 2023-01-24 CN disclosed
CN-112279888-B Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-09-13 CN disclosed
CN-112920086-A Preparation method of L-tyrosine derivative 长兴中昊化工有限公司 2021-06-08 CN disclosed
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 US disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 WO disclosed
EP-2399599-A2 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2011-12-28 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 (7 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-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 PPARG 382/4885PPARA 490/4885MDM4 910/4885
US-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PPARG 509/4885PPARA 545/4885MDM4 1009/4885
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PPARG 544/4885PPARA 787/4885MDM4 3040/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI PPARG 1819/4885PPARA 1757/4885MDM4 3427/4885
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PPARG 325/4885PPARA 338/4885MDM4 1149/4885
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PPARG 354/4885PPARA 362/4885MDM4 1128/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR PPARG 1930/4885PPARA 1881/4885MDM4 3351/4885

“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.