SCHEMBL2736627

SCHEMBL2736627

C[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
SYK P43405 1/20 0.56
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51
ACE P12821 1/20 0.49
IDO1 P14902 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
APP P05067 3/20 0.47
AKT1 P31749 2/20 0.47
KLK5 Q9Y337 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
SCHEMBL10238709 1.00 ATM (0.56) ATMSYKCTSSCTSKCTSL
SCHEMBL10239465 0.86 ATM (0.54) ATMSYKCTSSCTSKCTSL
SCHEMBL10188447 0.85 ATM (0.56) ATMSYKCTSSCTSKCTSL
SCHEMBL8518079 0.85 SYK (0.48) ATMSYKCTSSCTSKCTSL
SCHEMBL21221600 0.85 PCSK9 (0.46) ATMSYKCTSSCTSKCTSL
SCHEMBL825959 0.84 ATM (0.55) ATMSYKCTSSCTSKCTSL
SCHEMBL2548981 0.84 MMP2 (0.58) ATMSYKCTSSCTSKCTSL
SCHEMBL3825012 0.84 ATM (0.55) ATMSYKCTSSCTSKCTSL
SCHEMBL3604545 0.84 MMP2 (0.58) ATMSYKCTSSCTSKCTSL
SCHEMBL2548977 0.84 MMP2 (0.58) ATMSYKCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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 (3 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 ATM 3086/4885SYK 1042/4885CTSS 1358/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ATM 4079/4885SYK 1233/4885CTSS 3056/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ATM 4841/4885SYK 3904/4885CTSS 493/4885

“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.