SCHEMBL2010005

SCHEMBL2010005

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSB P07858 4/20 0.52
CTSL P07711 4/20 0.52
CTSS P25774 4/20 0.52
CYP3A4 P08684 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
REN P00797 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
PSMB1 P20618 1/20 0.46

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
SCHEMBL12401962 0.95 CYP3A4 (0.51) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL2012908 0.89 CTSK (0.51) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL2008481 0.88 ALDH1A1 (0.51) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL8759915 0.85 CTSB (0.55) CTSKCTSBCTSLCTSSCYP1A2
SCHEMBL2012335 0.84 TRPM8 (0.56) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL28791753 0.84 TRPM8 (0.56) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL2012334 0.84 TRPM8 (0.56) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL2008907 0.83 TRPM8 (0.49) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL5056029 0.83 TRPM8 (0.49) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL3331576 0.83 CTSK (0.53) CTSKCTSBCTSLCTSSCYP3A4

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-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
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 (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 CTSK 217/4885CTSB 129/4885CTSL 69/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885CTSB 41/4885CTSL 10/4885

“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.