SCHEMBL8138447

SCHEMBL8138447

O=C[C@H](CC1CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.50
CTSB P07858 4/20 0.50
CTSK P43235 4/20 0.48
CTSS P25774 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CTRB1 P17538 2/20 0.48
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL24447908 1.00 CTSL (0.50) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL3330029 0.95 CTSB (0.52) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL7271134 0.94 CTSL (0.56) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL7271139 0.94 CTSL (0.56) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL12247730 0.86 SYK (0.53) CTSLCTSBCTSKALDH1A1CYP1A2
SCHEMBL12249929 0.83 YAP1 (0.56)
SCHEMBL7280270 0.83 CTSB (0.55) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL5275940 0.82 CTSK (0.59) CTSLCTSBCTSKCTSSCTRB1
SCHEMBL5275932 0.82 CTSK (0.59) CTSLCTSBCTSKCTSSCTRB1
SCHEMBL630290 0.82 CTSB (0.66) CTSLCTSBCTSSCTRB1

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 23 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
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-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
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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
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
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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CTSL 69/4885CTSB 129/4885CTSK 217/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSL 69/4885CTSB 129/4885CTSK 217/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSL 10/4885CTSB 41/4885CTSK 109/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSL 63/4885CTSB 142/4885CTSK 240/4885

“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.