SCHEMBL2857248

SCHEMBL2857248

O=C([CH]COC(F)F)NCc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
PDE10A Q9Y233 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAOB P27338 1/20 0.38
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL2854435 0.85 TSHR (0.48) MAOBALDH1A1
SCHEMBL2856255 0.82 GAA (0.48) ALDH1A1
SCHEMBL2858150 0.81 LMNA (0.52) ALDH1A1
SCHEMBL2851648 0.80 ALDH1A1 (0.51) ALDH1A1
SCHEMBL2861180 0.79 MMP13 (0.46) ROCK2ALDH1A1
SCHEMBL2857253 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL20194473 0.76 TRPV1 (0.47) TRPV1MAOBPPARG
SCHEMBL2852748 0.76 GRM5 (0.40)
SCHEMBL12784726 0.75 TGM2 (0.58) TRPV1MAOBPPARG
SCHEMBL3168173 0.75 CARM1 (0.46) CARM1PRMT6ROCK2ROCK1TRPV1

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 3 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-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP 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-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB CARM1 2924/4885PRMT6 342/4885PDE10A 2891/4885

“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.