SCHEMBL2865610

SCHEMBL2865610

O=C(O)N[C@H](COC(F)F)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN9A Q15858 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.44
ANPEP P15144 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL2863206 0.90 KMT2A (0.50) CA12CA1CA2CA3CA4
SCHEMBL2855929 0.89 CA12 (0.59) CA12CA1CA2CA3CA4
SCHEMBL2857193 0.88 CA12 (0.46) CA12CA1CA2CA3CA4
SCHEMBL2858060 0.88 CA1 (0.59) CA12CA1CA2CA3CA4
SCHEMBL2862880 0.88 CA1 (0.59) CA12CA1CA2CA3CA4
SCHEMBL2851625 0.86 CA12 (0.41) CA12CA1CA2CA3CA4
SCHEMBL2857329 0.85 ANPEP (0.48) CA12CA1CA2CA3CA4
SCHEMBL14471184 0.83 HPGD (0.59) CA12CA1CA2CA3CA4
SCHEMBL12799314 0.83 CTSS (0.58) CA1CA2ANPEPTSHRHPGD
SCHEMBL2851881 0.81 CA12 (0.41) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US claimed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP claimed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US claimed
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-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-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 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-20090005433-A1 Fluorinated Compounds CNR1, NPFFR1, AFF1 CA12 3096/4885CA1 2396/4885CA2 3413/4885
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB CA12 2419/4885CA1 1750/4885CA2 3441/4885
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB CA12 2432/4885CA1 1765/4885CA2 3466/4885

“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.