SCHEMBL12630033

SCHEMBL12630033

CCc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3ccc(Cl)cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 3/20 0.60
▸ CYP3A4 P08684 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.45
▸ FABP3 P05413 3/20 0.45
▸ FABP4 P15090 3/20 0.45
▸ PLA2G2A P14555 2/20 0.44
▸ FABP5 Q01469 2/20 0.43
▸ KCNH2 Q12809 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12630032 0.92 PSIP1 (0.52) PSIP1CYP3A4KDM4EFABP3FABP4
SCHEMBL12630015 0.88 KDM4E (0.47) PSIP1CYP3A4KDM4EFABP3FABP4
SCHEMBL12630026 0.88 KDM4E (0.47) PSIP1CYP3A4KDM4EFABP3FABP4
SCHEMBL12630014 0.83 KDM4E (0.46) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL12956133 0.82 KDM4E (0.44) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL29985665 0.81 CYP3A4 (0.59) PSIP1CYP3A4KDM4EFABP3FABP4
SCHEMBL12630010 0.81 KDM4E (0.47) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL1699565 0.79 CYP3A4 (0.46) PSIP1CYP3A4KCNH2SLCO1B1
SCHEMBL12956135 0.77 KDM4E (0.44) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL1699777 0.76 CYP3A4 (0.50) PSIP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939545-B2 additionally comprising at least one other antiviral agent BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 — — US disclosed
US-7939545-B2 additionally comprising at least one other antiviral agent BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 — — US disclosed
EP-2019825-B9 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2011-01-26 — — EP disclosed
EP-2019825-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2010-09-01 — — EP disclosed
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. 2008-09-11 — — US disclosed
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. 2008-09-11 — — US disclosed
WO-2007131350-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 — — 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-20080221159-A1 Inhibitors of human immunodeficiency virus replication RTF2, RTF1, POLR1E PSIP1 1908/4885CYP3A4 1221/4885KDM4E 1488/4885

“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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