SCHEMBL627445

SCHEMBL627445

CC(C)(C)C(NC(=O)OC1CCOC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.36
CTSS P25774 2/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
CNR1 P21554 1/20 0.36
TBXAS1 P24557 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPK1 P28482 3/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 2/20 0.32
ACACB O00763 2/20 0.30
NR1H4 Q96RI1 2/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
CA2 P00918 1/20 0.30
P2RX3 P56373 2/20 0.30
P2RX2 Q9UBL9 2/20 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
SCHEMBL10137338 1.00 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL13757740 1.00 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL4259670 1.00 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL627444 1.00 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL8128957 0.89 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL15338646 0.87 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL12401299 0.87 CTSL (0.36) CTSLCTSSMLNRABCB11LMNA
SCHEMBL8141649 0.86 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL12401085 0.86 CTSL (0.35) CTSLCTSSMLNRABCB11LMNA
SCHEMBL627872 0.85 CTSL (0.35) CTSLCTSSMLNRABCB11LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
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
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
EP-2114958-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS Vertex Pharmceuticals Incorporated (US) 2009-11-11 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
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
EP-1917269-A2 INHIBITORS OF SERINE PROTEASES Vertex Pharmaceuticals Incorporated (US) 2008-05-07 EP disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 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 (4 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CTSL 807/4885CTSS 445/4885MLNR 3563/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885CTSS 925/4885MLNR 3537/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSL 69/4885CTSS 67/4885MLNR 2941/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885CTSS 925/4885MLNR 3537/4885

“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.