SCHEMBL12799323

SCHEMBL12799323

CC(C)(C)OC(=O)N[C@H](COC(F)F)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.60
CTSS P25774 11/20 0.48
CTSK P43235 10/20 0.48
SCN9A Q15858 2/20 0.47
CYP3A4 P08684 1/20 0.47
CTSB P07858 4/20 0.46
AKT1 P31749 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1C Q13936 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL12799326 0.89 CTSS (0.48) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL13527728 0.89 CTSS (0.61) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL12799316 0.87 GAA (0.52) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL12799311 0.87 CTSK (0.58) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL2857336 0.86 CA12 (0.56) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL12799325 0.85 CTSS (0.47) CTSLCTSSCTSKCTSBCA1
SCHEMBL2857323 0.85 CA12 (0.45) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL12799328 0.82 CTSS (0.47) CTSLCTSSCTSKSCN9ACTSB
SCHEMBL12799314 0.82 CTSS (0.58) CTSLCTSSCTSKCTSBCA1
SCHEMBL14471212 0.81 CTSS (0.47) CTSLCTSSCTSKSCN9ACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-8450336-B2 Use of D-serine derivatives for the treatment of anxiety disorders NPS PHARMACEUTICALS, INC (US) 2013-05-28 US disclosed
US-8450336-B2 Use of D-serine derivatives for the treatment of anxiety disorders NPS PHARMACEUTICALS, INC (US) 2013-05-28 US disclosed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2008070994-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (CA) 2008-06-19 WO disclosed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 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 (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-20090005433-A1 Fluorinated Compounds CNR1, NPFFR1, AFF1 CTSL 2242/4885CTSS 633/4885CTSK 1009/4885
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB CTSL 3047/4885CTSS 1561/4885CTSK 3294/4885
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB CTSL 3043/4885CTSS 1566/4885CTSK 3285/4885

“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.