SCHEMBL2863206

SCHEMBL2863206

Cc1ccc(CNC(=O)[C@@H](COC(F)F)NC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN9A Q15858 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL2856891 0.91 CA1 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL2865610 0.90 CA12 (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL2855929 0.89 CA12 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL2857193 0.88 CA12 (0.46) KMT2AMEN1CA12CA1CA2
SCHEMBL12799328 0.86 CTSS (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL2858022 0.85 CA12 (0.49) CA12CA1CA2CA3CA4
SCHEMBL2851625 0.84 CA12 (0.41) CA12CA1CA2CA3CA4
SCHEMBL2857239 0.82 CA12 (0.76) KMT2AMEN1CA12CA1CA2
SCHEMBL14471185 0.82 CA12 (0.76) KMT2AMEN1CA12CA1CA2
SCHEMBL2849848 0.82 CA12 (0.76) KMT2AMEN1CA12CA1CA2

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 KMT2A 1301/4885MEN1 2077/4885CA12 3096/4885
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB KMT2A 4045/4885MEN1 4442/4885CA12 2419/4885
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB KMT2A 4073/4885MEN1 4436/4885CA12 2432/4885

“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.