SCHEMBL4600010

SCHEMBL4600010

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.47
▸ PPARG P37231 3/20 0.44
▸ PPARA Q07869 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ FPR2 P25090 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40

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
SCHEMBL30510242 1.00 LDHA (0.47) LDHAPPARGPPARAGAAKMT2A
SCHEMBL4600752 0.92 CTRB1 (0.40) PPARGPPARAGAA
SCHEMBL4600067 0.92 CTRB1 (0.40) PPARGPPARAGAA
SCHEMBL30510366 0.92 CTRB1 (0.40) PPARGPPARAGAA
SCHEMBL5407004 0.92 CTRB1 (0.40) PPARGPPARAGAA
SCHEMBL25177964 0.90 ATM (0.39) PPARGPPARAKMT2A
SCHEMBL30767800 0.90 ATM (0.39) PPARGPPARAKMT2A
SCHEMBL5403825 0.90 ITGA4 (0.42) PPARGPPARA
SCHEMBL6185955 0.89 LTA4H (0.47) PPARGPPARA
SCHEMBL4600305 0.89 PPARG (0.39) LDHAPPARGPPARAKMT2A

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 8 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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 — — US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 — — WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 — — EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 — — 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS LDHA 4522/4885PPARG 4292/4885PPARA 3880/4885
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 LDHA 2144/4885PPARG 810/4885PPARA 448/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH LDHA 2743/4885PPARG 499/4885PPARA 480/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS LDHA 4369/4885PPARG 3626/4885PPARA 3079/4885

“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.

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