Sugi Predict

Sugi Predict / Compounds / SCHEMBL8812896

SCHEMBL8812896

SCHEMBL8812896

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PKLR P30613 1/20 0.34
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33

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
SCHEMBL30510335 1.00 CYP1A2 (0.38) CYP1A2TSHRL3MBTL1GPR3KMT2A
SCHEMBL14648233 0.90 CYP1A2 (0.36) CYP1A2TSHRL3MBTL1GPR3KMT2A
SCHEMBL30510342 0.90 CYP1A2 (0.36) CYP1A2TSHRL3MBTL1GPR3KMT2A
SCHEMBL30510259 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL4599750 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1405820 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1405873 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1120764 0.88 KEAP1 (0.35) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL5497625 0.87 CYP1A2 (0.47) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL418100 0.87 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 — — US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 — — EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
US-5629293-A Single chain peptide compounds having hemoregulatory activity NYCOMED IMAGING AS (NO) 1997-05-13 — — US disclosed
EP-0643725-A1 SINGLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-03-22 — — EP disclosed
WO-1993024524-A1 SINGLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 — — 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 (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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CYP1A2 4845/4885TSHR 3295/4885L3MBTL1 2505/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS CYP1A2 4648/4885TSHR 1619/4885L3MBTL1 4767/4885

“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.