SCHEMBL4467822

SCHEMBL4467822

COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
CDC25B P30305 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGDS O60760 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
NR4A2 P43354 3/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL4442981 0.82 L3MBTL1 (0.61) L3MBTL1LMNATSHRKDM4EKMT2A
SCHEMBL7221108 0.82 PIM1 (0.39) L3MBTL1LMNATSHRKDM4EMEN1
SCHEMBL2649939 0.82 PLK1 (0.43) PLK1CDC25BKDM4EMEN1KMT2A
SCHEMBL6851155 0.82 MEN1 (0.38) MEN1KMT2ACA1CA2CA5A
SCHEMBL8636736 0.81 IDO1 (0.46) PLK1CDC25BALDH1A1HPGDS
SCHEMBL7513949 0.80 NCEH1 (0.58) LMNAKDM4EMEN1KMT2ACA1
SCHEMBL247360 0.78 CNR2 (0.55) CDC25BL3MBTL1MEN1KMT2AMAPT
SCHEMBL254145 0.78 HDAC3 (0.48) LMNATSHRKDM4EMEN1KMT2A
SCHEMBL3827523 0.78 L3MBTL1 (0.36) L3MBTL1LMNATSHRKDM4EMEN1
SCHEMBL31150577 0.78 KDM4E (0.48) L3MBTL1LMNATSHRKDM4EMEN1

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
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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 PLK1 2820/4885CDC25B 3351/4885L3MBTL1 2546/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 PLK1 3722/4885CDC25B 2961/4885L3MBTL1 2105/4885

“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.