SCHEMBL4465269

SCHEMBL4465269

O=C(O)Cc1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.48
AKR1B1 P15121 1/20 0.44
PPARD Q03181 1/20 0.44
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLA2G4B P0C869 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
CTBP2 P56545 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL1904920 0.85 SLC7A5 (0.49) CYP1A2CTBP2
SCHEMBL3414264 0.84 RXRA (0.49) AKR1B1PPARDFFAR1
SCHEMBL29385263 0.84 CA5A (0.54) PTGDR2AKR1B1PPARDFFAR1CYP1A2
SCHEMBL25215347 0.84 CA5A (0.54) PTGDR2AKR1B1PPARDFFAR1CYP1A2
SCHEMBL9710054 0.83 F10 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5123961 0.83 ALDH1A1 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6937296 0.83 CYP4F2 (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8499667 0.81 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4652343 0.81 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL761677 0.81 MAPK14 (0.54) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 PTGDR2 459/4885AKR1B1 277/4885PPARD 1309/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 PTGDR2 938/4885AKR1B1 997/4885PPARD 2734/4885

“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.