SCHEMBL2008907

SCHEMBL2008907

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 2/20 0.47
CTSS P25774 1/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 3/20 0.47
CTRB1 P17538 2/20 0.47
CYP3A4 P08684 5/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 5/20 0.46
TSHR P16473 5/20 0.46
CYP2C19 P33261 4/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5056029 1.00 TRPM8 (0.49) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL2012908 0.95 CTSK (0.51) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL8759915 0.94 CTSB (0.55) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL2012334 0.90 TRPM8 (0.56) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL2012335 0.90 TRPM8 (0.56) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL28791753 0.90 TRPM8 (0.56) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL12401962 0.88 CYP3A4 (0.51) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL27829703 0.85 CTSL (0.46) TRPM8CTSLCTSBCTSKCTSS
SCHEMBL8140148 0.84 CTSL (0.53) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL12406617 0.84 CTSL (0.56) TRPM8CTSLCTSBCTSKCTSS

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 40 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-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
EP-2134717-A2 INHIBITORS OF SERINE PROTEASES Vertex Pharmceuticals Incorporated (US) 2009-12-23 EP disclosed
EP-2114958-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS Vertex Pharmceuticals Incorporated (US) 2009-11-11 EP 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
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
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 TRPM8 2135/4885CTSL 69/4885CTSB 129/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 TRPM8 3543/4885CTSL 10/4885CTSB 41/4885

“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.