SCHEMBL3402189

SCHEMBL3402189

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
MCL1 Q07820 8/20 0.44
HSD11B1 P28845 1/20 0.42
PTPN1 P18031 1/20 0.42
MMP2 P08253 2/20 0.41
BCL2 P10415 3/20 0.39
BCL2L1 Q07817 3/20 0.39
ANPEP P15144 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
P2RX3 P56373 1/20 0.39
RORC P51449 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL3044188 1.00 NR1H2 (0.44) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL12682712 1.00 NR1H2 (0.44) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL2819569 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL6847613 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL8166919 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL25097911 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL4320166 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL6847935 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL3182745 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL6847610 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1

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 NR1H2 2557/4885NR1H3 2265/4885MCL1 995/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1H2 2557/4885NR1H3 2265/4885MCL1 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.