SCHEMBL12864435

SCHEMBL12864435

C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.39
P2RX7 Q99572 1/20 0.39
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
CACNA1B Q00975 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
BCL2 P10415 4/20 0.36
BCL2L1 Q07817 3/20 0.36
ACE P12821 1/20 0.36
MMP13 P45452 2/20 0.35
ELANE P08246 2/20 0.35

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
SCHEMBL12864433 0.93 MMP2 (0.39) MCL1P2RX7MMP2MMP9CACNA1B
SCHEMBL19650261 0.85 ELANE (0.45) MCL1ELANE
SCHEMBL10221208 0.85 ELANE (0.45) MCL1ELANE
SCHEMBL15258576 0.85 ELANE (0.45) MCL1ELANE
SCHEMBL10082718 0.84 MMP2 (0.40) MCL1P2RX7MMP2MMP9CACNA1B
SCHEMBL2744335 0.83 AAK1 (0.40) MCL1P2RX7MMP2MMP9CACNA1B
SCHEMBL8278952 0.79 MCL1 (0.45) MCL1BCL2BCL2L1
SCHEMBL18105019 0.79 MCL1 (0.45) MCL1BCL2BCL2L1
SCHEMBL21486298 0.79 CYP3A4 (0.42) MCL1MMP2MMP9
SCHEMBL17704201 0.79 CYP3A4 (0.42) MCL1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674088-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 US 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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA MCL1 1279/4885P2RX7 656/4885MMP2 4385/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA MCL1 1279/4885P2RX7 656/4885MMP2 4385/4885

“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.