SCHEMBL4600014

SCHEMBL4600014

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 3/20 0.35
▸ ITGB7 P26010 2/20 0.35
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ ANPEP P15144 2/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ KLK5 Q9Y337 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 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
SCHEMBL4599268 1.00 ITGA4 (0.35) ITGA4ITGB7PPARGPPARAANPEP
SCHEMBL4600449 1.00 ITGA4 (0.35) ITGA4ITGB7PPARGPPARAANPEP
SCHEMBL1062783 0.85 SLC7A5 (0.38) ITGA4ITGB7PPARGPPARASLC7A5
SCHEMBL19899292 0.83 ATM (0.41) MAPTTDP1ACEATMCTSS
SCHEMBL4599009 0.83 PPARG (0.42) PPARGPPARAACEATMPTPN1
SCHEMBL30510366 0.83 CTRB1 (0.40) ITGA4PPARGPPARAMAPTITGB1
SCHEMBL4600067 0.83 CTRB1 (0.40) ITGA4PPARGPPARAMAPTITGB1
SCHEMBL5407004 0.83 CTRB1 (0.40) ITGA4PPARGPPARAMAPTITGB1
SCHEMBL4600752 0.83 CTRB1 (0.40) ITGA4PPARGPPARAMAPTITGB1
SCHEMBL7338794 0.82 ITGA4 (0.39) ITGA4ITGB7CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 ITGA4 2149/4885ITGB7 1904/4885PPARG 810/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ITGA4 4048/4885ITGB7 4193/4885PPARG 499/4885

“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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