SCHEMBL12533450

SCHEMBL12533450

Cc1cc2c(I)c([C@H](OC(C)(C)C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)c(C)nc2s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.36
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ IDH1 O75874 7/20 0.32
▸ AADAT Q8N5Z0 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ PPARG P37231 1/20 0.30

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
SCHEMBL14405276 0.92 PPARA (0.37) PPARACSNK2BCSNK2A1IDH1AADAT
SCHEMBL15132883 0.87 CYP3A4 (0.37) PPARACSNK2BCSNK2A1IDH1NAAA
SCHEMBL10157233 0.87 CYP3A4 (0.37) PPARACSNK2BCSNK2A1IDH1NAAA
SCHEMBL6121101 0.83 — —
SCHEMBL8511405 0.83 — —
SCHEMBL10157253 0.80 PPARA (0.36) PPARACSNK2BCSNK2A1IDH1NAAA
SCHEMBL12604350 0.78 CNR2 (0.36) PPARACSNK2BCSNK2A1
SCHEMBL15132901 0.77 PPARA (0.37) PPARACSNK2BCSNK2A1IDH1CYP3A4
SCHEMBL12604346 0.76 ALDH1A1 (0.33) PPARAMEN1KMT2ACYP3A4
SCHEMBL13862936 0.74 CACNA1G (0.35) PPARAIDH1PPARG

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
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 — — EP disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 — — US disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 — — US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 — — 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 (1 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-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E PPARA 4867/4885CSNK2B 808/4885CSNK2A1 794/4885

“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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