SCHEMBL3580628

SCHEMBL3580628

CC(F)(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.52
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
ACHE P22303 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
KIF11 P52732 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL1013141 0.84 PTPRC (0.55) PTPRCTSHRLMNAACHEKMT2A
SCHEMBL245787 0.83 PTPRC (0.54) PTPRCTSHRLMNAACHEKMT2A
SCHEMBL31426103 0.82 PTPRC (0.59) PTPRCTSHRLMNAACHEKMT2A
SCHEMBL545892 0.82 PTPRC (0.59) PTPRCTSHRLMNAACHEKMT2A
SCHEMBL3579270 0.81 PTPRC (0.60) PTPRCTSHRLMNAACHEKMT2A
SCHEMBL28077659 0.81 KIF11 (0.54) PTPRCTSHRLMNAKMT2AMEN1
SCHEMBL6621479 0.80 PTPRC (0.48) PTPRCTSHRLMNAACHEKMT2A
Ethylene SCHEMBL28103381 0.78 KIF11 (0.58) PTPRCTSHRLMNAACHEKMT2A
Nitrogen SCHEMBL8136806 0.78 KIF11 (0.58) PTPRCTSHRLMNAACHEKMT2A
SCHEMBL179286 0.78 PTPRC (0.63) PTPRCTSHRLMNAACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440711-B2 2-aryl-2-fluoropropanoic acids and derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2013-05-14 US disclosed
EP-2094638-B1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-08-08 EP disclosed
US-20100076034-A1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2010-03-25 US disclosed
EP-2094638-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2009-09-02 EP disclosed
WO-2008075184-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2008-06-26 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 (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-20100076034-A1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FPR2, FPR3, FPR1 PTPRC 1341/4885TSHR 2938/4885LMNA 1841/4885

“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.