SCHEMBL3181925

SCHEMBL3181925

CCOc1cc(OS(=O)(=O)C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RCE1 Q9Y256 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
WDR5 P61964 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.40
CXCR2 P25025 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL3198514 0.85 ALDH1A1 (0.51) KDM4EHSD17B10HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3372019 0.82 KDM4E (0.51) KDM4ETSHRHSD17B10ALDH1A1LMNA
SCHEMBL3201334 0.82 ALDH1A1 (0.53) KDM4EHSD17B10HSD11B1ALDH1A1HPGD
SCHEMBL4844621 0.81 KDM4E (0.70) KDM4ETSHRHSD17B10ALDH1A1LMNA
SCHEMBL903987 0.81 KDM4E (0.45) KDM4EHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL5565709 0.80 ALDH1A1 (0.51) KDM4EHSD17B10HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL1546492 0.79 KDM4E (0.57) KDM4ETSHRHSD17B10ALDH1A1RCE1
SCHEMBL954464 0.78 HSD17B10 (0.66) KDM4ETSHRHSD17B10ALDH1A1LMNA
SCHEMBL6261342 0.78 MAOB (0.50) ALDH1A1SMN1; SMN2HPGD
SCHEMBL6551724 0.77 HSD11B1 (0.46) KDM4EHSD11B1CXCR2HTR1AHTR1D

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-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A KDM4E 2845/4885TSHR 181/4885HSD17B10 118/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885TSHR 113/4885HSD17B10 276/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885TSHR 113/4885HSD17B10 276/4885

“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.