SCHEMBL3372755

SCHEMBL3372755

COC(=O)C1CC(OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.46
MMP2 P08253 5/20 0.35
MCL1 Q07820 7/20 0.34
MMP9 P14780 3/20 0.34
CACNA1B Q00975 1/20 0.33
BCL2 P10415 3/20 0.33
BCL2L1 Q07817 3/20 0.33
KLK5 Q9Y337 1/20 0.33
ANPEP P15144 1/20 0.33
P2RX7 Q99572 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13757878 1.00 AAK1 (0.46) AAK1MMP2MCL1MMP9CACNA1B
SCHEMBL10221213 0.85 ELANE (0.42) MMP2MCL1CYP3A4
SCHEMBL15483922 0.85 ELANE (0.42) MMP2MCL1CYP3A4
SCHEMBL15258574 0.85 ELANE (0.42) MMP2MCL1CYP3A4
SCHEMBL3372052 0.85 ELANE (0.42) MMP2MCL1CYP3A4
SCHEMBL2744335 0.85 AAK1 (0.40) AAK1MMP2MCL1MMP9CACNA1B
SCHEMBL3050430 0.84 HDAC8 (0.39) MMP2MCL1MMP9
SCHEMBL4449192 0.84 HDAC8 (0.39) MMP2MCL1MMP9
SCHEMBL3050428 0.84 HDAC8 (0.39) MMP2MCL1MMP9
SCHEMBL10221319 0.84 CYP3A4 (0.46) AAK1CYP3A4

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-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885MMP2 3149/4885MCL1 995/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885MMP2 3149/4885MCL1 995/4885

“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.