SCHEMBL12533466

SCHEMBL12533466

COC(=O)C(OC(C)(C)C)c1c(C)nc2sc(C)cc2c1I

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 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
SCHEMBL12533452 1.00 PSIP1 (0.32) PSIP1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL12533599 0.88 PSIP1 (0.33) PSIP1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL14405278 0.88 PSIP1 (0.33) PSIP1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL12533451 0.88 PSIP1 (0.41) PSIP1
SCHEMBL13862927 0.84 — —
SCHEMBL12533463 0.82 USP2 (0.31) —
SCHEMBL12533465 0.82 PSIP1 (0.34) PSIP1
SCHEMBL12992709 0.77 PSIP1 (0.45) PSIP1
SCHEMBL10157239 0.77 MEN1 (0.45) PSIP1
SCHEMBL14405279 0.76 PSIP1 (0.43) PSIP1

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 PSIP1 1240/4885CSNK2A2 1024/4885KDR 2891/4885

“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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