SCHEMBL4462296

SCHEMBL4462296

Cc1c(C=O)ccc(OS(=O)(=O)C(F)(F)F)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
DRD2 P14416 4/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
EPAS1 Q99814 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
CXCR2 P25025 2/20 0.31
ESR2 Q92731 1/20 0.31
CXCR1 P25024 1/20 0.31

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
SCHEMBL27408036 0.86 ALDH1A1 (0.44) ALDH1A1CA1CA2DRD2DRD4
SCHEMBL17917219 0.79 CA1 (0.40) ALDH1A1CA1CA2DRD2DRD4
SCHEMBL16520422 0.79 CA1 (0.40) ALDH1A1CA1CA2DRD2DRD4
SCHEMBL21620884 0.78 KDM4E (0.42) DRD2DRD4DRD3DRD1DRD5
SCHEMBL4887707 0.77 EPAS1 (0.38) ALDH1A1CA1CA2DRD2DRD4
SCHEMBL23166109 0.77 EPAS1 (0.41) ALDH1A1DRD2DRD4DRD3EPAS1
SCHEMBL15077206 0.77 EPAS1 (0.38) CA1CA2DRD2DRD4DRD3
SCHEMBL5449368 0.77 ALPL (0.43) ALDH1A1
SCHEMBL1249844 0.76 ALDH1A1 (0.41) ALDH1A1CA1CA2DRD2DRD4
SCHEMBL3651061 0.75 EPAS1 (0.34) ALDH1A1CA1CA2DRD2DRD4

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 9 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-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
CN-1812782-A Pyrazolidinedione derivatives and their use as platelet aggregation inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2006-08-02 CN 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
WO-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO 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 (3 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 ALDH1A1 1198/4885CA1 4535/4885CA2 3855/4885
US-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ALDH1A1 675/4885CA1 2409/4885CA2 1546/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ALDH1A1 1320/4885CA1 557/4885CA2 117/4885

“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.