SCHEMBL3039995

SCHEMBL3039995

CNC(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.50
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP14 P50281 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.43
MMP13 P45452 7/20 0.43
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31311637 1.00 AAK1 (0.50) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL3039988 1.00 AAK1 (0.50) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL25069123 0.92 AAK1 (0.52) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL19125612 0.90 MMP1 (0.48) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL3039102 0.89 AAK1 (0.45) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL3037261 0.89 AAK1 (0.45) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL2098571 0.89 AAK1 (0.45) AAK1MMP1MMP9MMP14HDAC4
SCHEMBL22679471 0.87 HDAC4 (0.57) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL16317185 0.84 GAA (0.47) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL22125910 0.84 CTSS (0.47) AAK1MMP1HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS FLORIDA ATLANTIC UNIVERSITY BOARD OF TRUSTEES (US) 2020-06-11 US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US disclosed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 EP disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 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 (5 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 AAK1 2671/4885MMP1 2768/4885MMP9 3735/4885
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 AAK1 2325/4885MMP1 1775/4885MMP9 2502/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 AAK1 2132/4885MMP1 2329/4885MMP9 2878/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 AAK1 2213/4885MMP1 1837/4885MMP9 2597/4885
US-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP17, MMP16 AAK1 4744/4885MMP1 17/4885MMP9 15/4885

“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.