SCHEMBL2008481

SCHEMBL2008481

O=C(NC(CC1CCC1)C(O)C(=O)NC1CC1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
CTSK P43235 5/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 2/20 0.49
CTSL P07711 2/20 0.49
TSHR P16473 3/20 0.49
EPHX1 P07099 1/20 0.46
DPP4 P27487 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 2/20 0.44
MAPT P10636 1/20 0.44
REN P00797 1/20 0.44
TP53 P04637 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL2010005 0.88 CTSK (0.52) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL2012908 0.88 CTSK (0.51) ALDH1A1GAACTSKCTSBCTSS
SCHEMBL8759915 0.84 CTSB (0.55) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL13412730 0.83 ALDH1A1 (0.52) ALDH1A1GAACTSKCTSBCTSS
SCHEMBL6059038 0.83 ALDH1A1 (0.52) ALDH1A1GAACTSKCTSBCTSS
SCHEMBL418524 0.83 ALDH1A1 (0.52) ALDH1A1GAACTSKCTSBCTSS
SCHEMBL12401962 0.83 CYP3A4 (0.51) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL2008907 0.83 TRPM8 (0.49) ALDH1A1GAACTSKCTSBCTSS
SCHEMBL5056029 0.83 TRPM8 (0.49) ALDH1A1GAACTSKCTSBCTSS
SCHEMBL29293865 0.82 CTSL (0.59) CTSKCTSBCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP 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
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885GAA 773/4885CTSK 217/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ALDH1A1 2219/4885GAA 751/4885CTSK 109/4885

“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.