SCHEMBL12630063

SCHEMBL12630063

C=Cc1ccc(-c2c(C(CCC)C(=O)O)c(C)nc3ccc(Cl)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 5/20 0.56
▸ KDM4E B2RXH2 1/20 0.45
▸ FABP3 P05413 1/20 0.45
▸ FABP4 P15090 1/20 0.45
▸ PLA2G2A P14555 1/20 0.42

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
SCHEMBL12630062 0.92 PSIP1 (0.48) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL10325642 0.88 PSIP1 (0.59) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL29985176 0.88 PSIP1 (0.59) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL12630048 0.79 FABP3 (0.56) PSIP1KDM4EFABP3FABP4
SCHEMBL12630049 0.78 PSIP1 (0.41) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL12630045 0.73 FABP3 (0.53) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL12630059 0.73 ALDH1A1 (0.46) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL12630004 0.72 PSIP1 (0.42) PSIP1KDM4EFABP3FABP4PLA2G2A
SCHEMBL6122055 0.72 PSIP1 (1.00) PSIP1
SCHEMBL6122448 0.72 PSIP1 (1.00) 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 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 1908/4885KDM4E 1488/4885FABP3 4766/4885

“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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