SCHEMBL2992160

SCHEMBL2992160

O=C(O)C1CCCCN1S(=O)(=O)c1cccc(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTR7 P34969 3/20 0.51
CYP2D6 P10635 2/20 0.51
HTR1B P28222 2/20 0.51
DRD3 P35462 2/20 0.51
HTR5A P47898 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
HTR4 Q13639 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50

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
SCHEMBL2992157 1.00 ALDH1A1 (0.59) ALDH1A1HTTKDM4EHSD17B10HTR7
SCHEMBL2977278 0.86 ALDH1A1 (0.72) ALDH1A1HTTHSD17B10CYP3A4NPSR1
SCHEMBL1385016 0.86 ALDH1A1 (0.72) ALDH1A1HTTHSD17B10CYP3A4NPSR1
SCHEMBL630204 0.85 ALDH1A1 (0.57) ALDH1A1HTTKDM4EHSD17B10FKBP1A
SCHEMBL630205 0.85 ALDH1A1 (0.57) ALDH1A1HTTKDM4EHSD17B10FKBP1A
SCHEMBL2987861 0.82 ALDH1A1 (0.57) ALDH1A1HTTKDM4EHSD17B10CYP3A4
SCHEMBL2987858 0.82 ALDH1A1 (0.57) ALDH1A1HTTKDM4EHSD17B10CYP3A4
SCHEMBL630329 0.82 HCRTR1 (0.60) ALDH1A1HTTKDM4EHSD17B10HTR7
SCHEMBL629730 0.82 POLB (0.62) ALDH1A1HTTKDM4EHSD17B10LMNA
SCHEMBL629731 0.82 POLB (0.62) ALDH1A1HTTKDM4EHSD17B10LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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 (1 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 ALDH1A1 3038/4885HTT 535/4885KDM4E 3895/4885

“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.