SCHEMBL1120764

SCHEMBL1120764

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CTRB1 P17538 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR3 P46089 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8812896 0.88 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL30510335 0.88 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL19899311 0.84 CYP1A2 (0.32) CYP1A2TSHRCTRB1KMT2AGPR3
SCHEMBL7107498 0.84 PTPRC (0.36) CYP1A2TSHRKMT2APOLBIDO1
SCHEMBL30510259 0.84 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL1405873 0.84 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL4599750 0.84 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL1405820 0.84 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL418100 0.83 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL5497625 0.83 CYP1A2 (0.47) CYP1A2TSHRKMT2AGPR3POLB

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-20250197378-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA AS (DK) 2025-06-19 US disclosed
US-20220411461-A1 METHODS OF MAKING INCRETIN ANALOGS ELI LILLY AND COMPANY 2022-12-29 US disclosed
EP-4017866-A1 METHODS OF MAKING INCRETIN ANALOGS Eli Lilly and Company (US) 2022-06-29 EP disclosed
WO-2021034815-A1 METHODS OF MAKING INCRETIN ANALOGS ELI LILLY AND COMPANY (US) 2021-02-25 WO disclosed
EP-2038295-B1 PSEUDO PROLINE DIPEPTIDES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-7612209-B2 Pseudo proline dipeptides HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
EP-2038295-A1 PSEUDO PROLINE DIPEPTIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080004451-A1 Pseudo proline dipeptides HOFFMANN-LA ROCHE INC. 2008-01-03 US disclosed
WO-2008000641-A1 PSEUDO PROLINE DIPEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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 (4 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL KEAP1 1768/4885CYP1A2 143/4885TSHR 1344/4885
US-20250197378-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL2, IL23R KEAP1 1143/4885CYP1A2 724/4885TSHR 4178/4885
US-20080004451-A1 Pseudo proline dipeptides PNISR, PTMS, ARGLU1 KEAP1 3495/4885CYP1A2 3924/4885TSHR 284/4885
US-20220411461-A1 METHODS OF MAKING INCRETIN ANALOGS IAPP, GLP1R, GIPR KEAP1 1554/4885CYP1A2 4217/4885TSHR 1880/4885

“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.