SCHEMBL6317036

SCHEMBL6317036

O=C(O)[C@H](Cc1ccccc1)N(Cc1sc(Br)cc1Br)C(=O)c1ccc(Cl)cc1I

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
ADAMTS5 Q9UNA0 2/20 0.35
PPARG P37231 1/20 0.32

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
SCHEMBL6318363 1.00 PPARA (0.39) PPARAADAMTS5PPARG
SCHEMBL6317694 0.82 PPARA (0.39) PPARAADAMTS5
SCHEMBL6320325 0.82 PPARA (0.39) PPARAADAMTS5
SCHEMBL6323786 0.80 PPARA (0.37) PPARAADAMTS5
SCHEMBL6323783 0.80 PPARA (0.37) PPARAADAMTS5
SCHEMBL6325437 0.77 ADAMTS5 (0.39) PPARAADAMTS5PPARG
SCHEMBL6316934 0.77 PPARA (0.40) PPARA
SCHEMBL6316940 0.77 PPARA (0.40) PPARA
SCHEMBL6319916 0.76 PPARA (0.39) PPARA
SCHEMBL6320732 0.76 PPARA (0.39) PPARA

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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-20210115003-A1 NOVEL FULLY SYNTHETIC AND SEMISYNTHETIC PLEUROMUTILIN DERIVATIVES AS NEW ANTIBIOTICS AND THEIR PREPARATION YALE UNIVERSITY (US) 2021-04-22 US disclosed
US-20190352262-A1 New Pleuromutilin Antibiotic Compounds, Compositions and Methods of Use and Synthesis UNIV YALE (US) 2019-11-21 US disclosed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-6875849-B2 Methods of recovering chaperone proteins and complexes thereof ARIZONA BOARD OF REGENTS OF BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-04-05 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
US-20030031661-A1 Methods of recovering chaperone proteins and complexes thereof ARIZONA BOARD OF REGRENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA, THE 2003-02-13 US 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 (3 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-20190352262-A1 New Pleuromutilin Antibiotic Compounds, Compositions and Methods of Use and Synthesis PLEC, MLN, MRPL21 PPARA 2994/4885ADAMTS5 3403/4885PPARG 3691/4885
US-20210115003-A1 NOVEL FULLY SYNTHETIC AND SEMISYNTHETIC PLEUROMUTILIN DERIVATIVES AS NEW ANTIBIOTICS AND THEIR PREPARATION PLEC, MRPL21, VIP PPARA 2903/4885ADAMTS5 2108/4885PPARG 2971/4885
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS PPARA 2311/4885ADAMTS5 1548/4885PPARG 2178/4885

“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.