SCHEMBL12864433

SCHEMBL12864433

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)OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.39
MMP9 P14780 3/20 0.39
MCL1 Q07820 7/20 0.38
CACNA1B Q00975 1/20 0.37
P2RX7 Q99572 1/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ANPEP P15144 1/20 0.34
BCL2 P10415 3/20 0.34
BCL2L1 Q07817 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL12864435 0.93 MCL1 (0.39) MMP2MMP9MCL1CACNA1BP2RX7
SCHEMBL10082718 0.91 MMP2 (0.40) MMP2MMP9MCL1CACNA1BP2RX7
SCHEMBL15483922 0.86 ELANE (0.42) MMP2MCL1
SCHEMBL15258574 0.86 ELANE (0.42) MMP2MCL1
SCHEMBL3372052 0.86 ELANE (0.42) MMP2MCL1
SCHEMBL10221213 0.86 ELANE (0.42) MMP2MCL1
SCHEMBL3050430 0.85 HDAC8 (0.39) MMP2MMP9MCL1
SCHEMBL4449192 0.85 HDAC8 (0.39) MMP2MMP9MCL1
SCHEMBL3050428 0.85 HDAC8 (0.39) MMP2MMP9MCL1
SCHEMBL3372755 0.82 AAK1 (0.46) MMP2MMP9MCL1CACNA1BP2RX7

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 3 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-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 (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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA MMP2 4385/4885MMP9 4292/4885MCL1 1279/4885

“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.