SCHEMBL10157257

SCHEMBL10157257

Cc1nc2cccc(F)c2c(I)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ NR1I2 O75469 1/20 0.38
▸ PARP1 P09874 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
SCHEMBL10157251 0.90 PSIP1 (0.35) PSIP1CYP3A4PARP1
SCHEMBL10157256 0.90 PSIP1 (0.35) PSIP1CYP3A4PARP1
SCHEMBL15132904 0.88 PSIP1 (0.44) PSIP1CYP3A4NR1I2PARP1
SCHEMBL10157230 0.83 CYP3A4 (0.48) PSIP1CYP3A4NR1I2
SCHEMBL16258491 0.83 CYP3A4 (0.48) PSIP1CYP3A4NR1I2
SCHEMBL15132903 0.78 PSIP1 (0.36) PSIP1CYP3A4NR1I2PARP1
SCHEMBL15132902 0.78 PSIP1 (0.36) PSIP1CYP3A4NR1I2PARP1
SCHEMBL10157253 0.77 PPARA (0.36) PSIP1CYP3A4NR1I2
SCHEMBL10157250 0.76 PARP1 (0.37) PARP1
SCHEMBL13269047 0.73 CYP3A4 (0.48) PSIP1CYP3A4NR1I2

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
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 — — EP disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009062289-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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 PSIP1 978/4885CYP3A4 1577/4885NR1I2 1457/4885

“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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