SCHEMBL3574723

SCHEMBL3574723

COC(=O)C(C)(F)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGS1 P23219 5/20 0.43
KCNN4 O15554 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CFTR P13569 1/20 0.39
DDX3X O00571 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL22165138 0.85 TSHR (0.52) TSHRMAPK1PTGS1KCNN4ALDH1A1
SCHEMBL1068045 0.83 CNR1 (0.50) TSHRMAPK1PTGS1KCNN4ALDH1A1
SCHEMBL3581941 0.81 TSHR (0.55) TSHRMAPK1PTGS1ALDH1A1DDX3X
SCHEMBL31619458 0.81 KCNN4 (0.43) KCNN4ALDH1A1SMN1; SMN2CYP3A4NPSR1
SCHEMBL10596969 0.79 KCNN4 (0.62) TSHRMAPK1KCNN4ALDH1A1GAA
SCHEMBL3573788 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL6161995 0.76 ALDH1A1 (0.42) TSHRMAPK1PTGS1KCNN4ALDH1A1
SCHEMBL17978839 0.76 KCNN4 (0.50) TSHRMAPK1KCNN4ALDH1A1F2
SCHEMBL3577016 0.76 PTPRC (0.52) TSHRMAPK1ALDH1A1DDX3XSMN1; SMN2
SCHEMBL3618566 0.76 KCNN4 (0.39) TSHRMAPK1PTGS1KCNN4ALDH1A1

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 TSHR 2938/4885MAPK1 2784/4885PTGS1 707/4885

“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.