SCHEMBL4479842

SCHEMBL4479842

COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 1/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA5 P31644 1/20 0.44
GABRA2 P47869 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SDHB P21912 1/20 0.42
HSD11B1 P28845 1/20 0.42
PTGS2 P35354 1/20 0.41
ABL1 P00519 1/20 0.41
PLA2G2A P14555 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL5569165 0.83 HSD11B1 (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6775841 0.82 KDM4E (0.62) SLC6A3SLC6A4SLC6A2GABRA1GABRG2
SCHEMBL974920 0.81 HSD11B1 (0.45) SLC6A3KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3537593 0.81 CA12 (0.57) SLC6A3SLC6A2CYP1A2CYP2D6CYP2C19
SCHEMBL3901811 0.81 HSD11B1 (0.45) KDM4EHSD11B1HPGDMEN1ALDH1A1
SCHEMBL3187945 0.80 KMT2A (0.45) KDM4EHSD11B1HPGDMEN1ALDH1A1
SCHEMBL3901554 0.80 CFTR (0.44) KDM4EHSD11B1CXCR2
SCHEMBL9300719 0.78 ALOX5 (0.49) SDHBPTGS2HPGDEGFRALDH1A1
SCHEMBL4945678 0.78 CFTR (0.60) SLC6A3SLC6A4SLC6A2GABRA1GABRG2
SCHEMBL24579568 0.77 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2GABRA1GABRG2

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-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
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (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 SLC6A3 2142/4885SLC6A4 2174/4885SLC6A2 1477/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 SLC6A3 1710/4885SLC6A4 1621/4885SLC6A2 1366/4885

“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.