Sugi Predict

Sugi Predict / Compounds / SCHEMBL417361

SCHEMBL417361

SCHEMBL417361

CCCC(NC(=O)OCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ ATM Q13315 2/20 0.49
▸ CTRB1 P17538 2/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ PRTN3 P24158 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL15271790 1.00 CTSK (0.53) CTSKTRPM8CTSLCTSSATM
SCHEMBL416706 1.00 CTSK (0.53) CTSKTRPM8CTSLCTSSATM
SCHEMBL8242655 0.91 TRPM8 (0.56) CTSKTRPM8CTSLCTSSATM
SCHEMBL14509699 0.91 CTSK (0.52) CTSKTRPM8CTSLCTSSATM
SCHEMBL8243623 0.91 TRPM8 (0.56) CTSKTRPM8CTSLCTSSATM
SCHEMBL8139199 0.89 CTSK (0.54) CTSKTRPM8CTSLCTSSATM
SCHEMBL13338073 0.86 CTRB1 (0.49) CTSKTRPM8CTSLCTSSATM
SCHEMBL14302358 0.86 CTSL (0.52) CTSKCTSLCTSSSIRT2SIRT1
SCHEMBL13489693 0.86 CTSK (0.58) CTSKTRPM8CTSLCTSSATM
SCHEMBL25949256 0.86 CTSK (0.58) CTSKTRPM8CTSLCTSSATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 — — US disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 — — US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 — — EP disclosed
WO-2013136265-A1 SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND DIPHARMA FRANCIS S.R.L. (IT) 2013-09-19 — — WO disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 — — US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 — — US 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-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 — — US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 — — US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 — — US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 — — WO disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 — — 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-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 — — WO disclosed
WO-2005028502-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-03-31 — — 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 (6 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CTSK 86/4885TRPM8 4584/4885CTSL 6/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885TRPM8 4584/4885CTSL 6/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CTSK 72/4885TRPM8 3231/4885CTSL 17/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885TRPM8 2135/4885CTSL 69/4885
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CTSK 179/4885TRPM8 3619/4885CTSL 21/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSK 46/4885TRPM8 4419/4885CTSL 5/4885

“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.