SCHEMBL13437620

SCHEMBL13437620

C[C@@](F)(C(=O)NCCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.45
DRD3 P35462 5/20 0.45
DRD4 P21917 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 6/20 0.43
ACHE P22303 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 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
SCHEMBL252131 0.80 CXCR2 (0.56) DRD2DRD3DRD4MAPTLMNA
SCHEMBL2556708 0.80 CXCR2 (0.56) DRD2DRD3DRD4MAPTLMNA
SCHEMBL252140 0.79 CXCR2 (0.55) DRD2DRD3MAPTACHE
Hydrochloric Acid SCHEMBL253136 0.79 CXCR2 (0.55) DRD2DRD3DRD4MAPTLMNA
SCHEMBL251855 0.79 CXCR2 (0.55) DRD2DRD3MAPTACHE
Hydrochloric Acid SCHEMBL5569882 0.78 CXCR2 (0.54) DRD2DRD3MAPTACHE
Hydrochloric Acid SCHEMBL251520 0.78 CXCR2 (0.54) DRD2DRD3MAPTACHE
SCHEMBL1819154 0.75 MAPK1 (0.41) DRD2DRD3DRD4LMNAMAPK1
SCHEMBL3584598 0.74 CXCR2 (0.47) ALDH1A1MAPT
SCHEMBL252769 0.73 CXCR2 (0.58) DRD2DRD3DRD4ALDH1A1HRH3

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 4 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
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
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
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

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 DRD2 3775/4885DRD3 3852/4885DRD4 4157/4885

“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.