SCHEMBL457945

SCHEMBL457945

COC(=O)C(OC(C)(C)C)c1c(C)nc2c(Cl)c(C)nn2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 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
SCHEMBL457589 0.81 SMN1; SMN2 (0.32) —
SCHEMBL10175470 0.80 CYP3A4 (0.39) CYP3A4
SCHEMBL462578 0.78 SMN1; SMN2 (0.41) CYP3A4
SCHEMBL462838 0.78 NR1I2 (0.33) CYP3A4
SCHEMBL470426 0.78 NR1I2 (0.33) CYP3A4
SCHEMBL18382263 0.78 NR1I2 (0.33) CYP3A4
SCHEMBL458296 0.76 KDM4E (0.46) —
SCHEMBL13035741 0.75 CYP3A4 (0.35) CYP3A4
SCHEMBL457394 0.74 ALDH1A1 (0.41) —
SCHEMBL15226886 0.74 NR1I2 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 — — EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS CYP3A4 1719/4885

“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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