SCHEMBL1706304

SCHEMBL1706304

COC(=O)NC(C(=O)NN)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.34
ADAM17 P78536 3/20 0.34
PDF Q9HBH1 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP1 P03956 7/20 0.31
MMP3 P08254 6/20 0.31
MMP9 P14780 6/20 0.31
MMP2 P08253 6/20 0.31
MMP8 P22894 4/20 0.31
MMP13 P45452 3/20 0.31
DPP4 P27487 1/20 0.31
MMP7 P09237 2/20 0.30
MMP14 P50281 2/20 0.30
MMP20 O60882 1/20 0.30
ADAMTS4 O75173 1/20 0.30
TNF P01375 1/20 0.30
MMP10 P09238 1/20 0.30
MMP12 P39900 1/20 0.30
MMP15 P51511 1/20 0.30

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
SCHEMBL6098 1.00 HIF1A (0.34) HIF1AADAM17PDFCA1CA2
Hydrochloric Acid SCHEMBL2286815 0.98 HIF1A (0.33) HIF1AADAM17PDFCA1CA2
SCHEMBL1213869 0.85 CA2 (0.46) CA1CA2CA7
SCHEMBL21012805 0.83 HIF1A (0.31) HIF1ACA1CA2
Hydrochloric Acid SCHEMBL30205399 0.82 HIF1A (0.30) HIF1A
SCHEMBL13051146 0.82 ADAM17 (0.48) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL4676064 0.79 HIF1A (0.37) HIF1AADAM17PDFCA1CA2
SCHEMBL3556829 0.79 HIF1A (0.37) HIF1AADAM17PDFCA1CA2
SCHEMBL10204084 0.79 CNR2 (0.35) CA1CA2MMP9CA7
SCHEMBL7765969 0.79 CNR2 (0.35) CA1CA2MMP9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806794-B2 Protease inhibitors having enhanced features NEKTAR THERAPEUTICS (US) 2020-10-20 US disclosed
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 EP disclosed
EP-2440249-A2 COVALENT CONJUGATES COMPRISING A PROTEASE INHIBITOR, A WATER-SOLUBLE, NON-PEPTIDIC OLIGOMER AND A LIPOPHILIC MOIETY Nektar Therapeutics (US) 2012-04-18 EP disclosed
WO-2010144869-A2 PROTEASE INHIBITORS NEKTAR THERAPEUTICS (US) 2010-12-16 WO disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
WO-2010033219-A2 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS (US) 2010-03-25 WO disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (3 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-10806794-B2 Protease inhibitors having enhanced features SERPINB1, SPINT2, TMPRSS15 HIF1A 2112/4885ADAM17 40/4885PDF 1820/4885
US-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME HIF1A 2138/4885ADAM17 46/4885PDF 2486/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 HIF1A 2159/4885ADAM17 46/4885PDF 2628/4885

“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.