SCHEMBL3201334

SCHEMBL3201334

CC(C)Oc1cc(OS(=O)(=O)C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.47
HSD11B1 P28845 1/20 0.46
CXCR2 P25025 2/20 0.44
CXCR1 P25024 1/20 0.43
KMT2A Q03164 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
ADRB3 P13945 6/20 0.40
ADRB1 P08588 5/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 2/20 0.38
HTR2A P28223 1/20 0.37
TSPO P30536 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KAT6A Q92794 1/20 0.37

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 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHSD11B1CXCR2KMT2A
SCHEMBL17908039 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EKMT2AIRAK4ADRB3
SCHEMBL3181925 0.82 KDM4E (0.49) ALDH1A1KDM4EHSD11B1CXCR2USP2
SCHEMBL7530260 0.80 ALDH1A1 (0.46) ALDH1A1HSD11B1CXCR2CXCR1KMT2A
SCHEMBL903987 0.80 KDM4E (0.45) ALDH1A1KDM4EHSD11B1KMT2A
SCHEMBL1282546 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AIRAK4HPGD
SCHEMBL5565709 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHSD11B1CXCR2CXCR1
SCHEMBL12481232 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AIRAK4ADRB3
SCHEMBL425721 0.77 ALDH1A1 (0.66) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL3902735 0.76 HSD11B1 (0.46) ALDH1A1KDM4EHSD11B1CXCR2CXCR1

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 ALDH1A1 106/4885KDM4E 2845/4885HSD11B1 195/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A ALDH1A1 180/4885KDM4E 2733/4885HSD11B1 350/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A ALDH1A1 180/4885KDM4E 2733/4885HSD11B1 350/4885

“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.