SCHEMBL4032986

SCHEMBL4032986

CCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.56
CTSK P43235 6/20 0.56
CTSL P07711 5/20 0.56
CTSB P07858 3/20 0.56
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
CACNA1F O60840 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
PPID Q08752 1/20 0.51
CAPN1 P07384 1/20 0.50
CAPN2 P17655 1/20 0.50

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
SCHEMBL7536642 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBSIRT2
SCHEMBL9068032 0.93 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL10790294 0.91 CTSL (0.69) CTSSCTSKCTSLCTSB
SCHEMBL6661701 0.91 CTSL (0.69) CTSSCTSKCTSLCTSB
SCHEMBL11659096 0.90 CTSL (0.57) CTSSCTSKCTSLCTSB
SCHEMBL24130351 0.89 CTSK (0.56) CTSSCTSKCTSLCTSBSIRT2
SCHEMBL8245664 0.89 CTSK (0.56) CTSSCTSKCTSLCTSBSIRT2
SCHEMBL9807063 0.88 CTSK (0.70) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL11513551 0.87 BCHE (0.60) CTSSCTSKCTSLCTSBSIRT2
SCHEMBL11513546 0.87 BCHE (0.60) CTSSCTSKCTSLCTSBSIRT2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP claimed
US-7056889-B2 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK, WORLDWIDE, INC. (US) 2006-06-06 US claimed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP claimed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO claimed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US claimed
US-20090306009-A1 Modulation of the P2Y2 Receptor Pathway P2-SCIENCE APS (DK) 2009-12-10 US disclosed
EP-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP disclosed
EP-2036567-A2 Modulation of the P2Y2 receptor pathway P2-Science APS (DK) 2009-03-18 EP disclosed
EP-1959968-A2 MODULATION OF THE P2Y2 RECEPTOR PATHWAY P2-Science APS (DK) 2008-08-27 EP disclosed
WO-2007065437-A2 MODULATION OF THE P2Y2 RECEPTOR PATHWAY P2-SCIENCE APS (DK) 2007-06-14 WO disclosed
US-7056889-B2 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK, WORLDWIDE, INC. (US) 2006-06-06 US disclosed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP disclosed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO disclosed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 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 (1 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-20090306009-A1 Modulation of the P2Y2 Receptor Pathway P2RY2, P2RY1, P2RY11 CTSS 4513/4885CTSK 4396/4885CTSL 4630/4885

“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.