SCHEMBL630205

SCHEMBL630205

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FKBP1A P62942 2/20 0.53
KCNQ1 P51787 1/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
PLAU P00749 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL630204 1.00 ALDH1A1 (0.57) ALDH1A1HTTKDM4EHSD17B10FKBP1A
SCHEMBL3723194 0.96 KDM4E (0.57) ALDH1A1HTTKDM4EHSD17B10FKBP1A
SCHEMBL8268031 0.88 KCNQ1 (0.53) ALDH1A1HTTFKBP1AKCNQ1KMT2A
SCHEMBL2992157 0.85 ALDH1A1 (0.59) ALDH1A1HTTKDM4EHSD17B10FKBP1A
SCHEMBL2992160 0.85 ALDH1A1 (0.59) ALDH1A1HTTKDM4EHSD17B10FKBP1A
SCHEMBL6962263 0.85 ALDH1A1 (0.72) ALDH1A1HTTFKBP1ALMNATSHR
SCHEMBL15648472 0.85 ALDH1A1 (0.72) ALDH1A1HTTFKBP1ALMNATSHR
SCHEMBL2977278 0.84 ALDH1A1 (0.72) ALDH1A1HTTHSD17B10FKBP1ALMNA
SCHEMBL1385016 0.84 ALDH1A1 (0.72) ALDH1A1HTTHSD17B10FKBP1ALMNA
SCHEMBL14529919 0.84 POLB (0.53) ALDH1A1KDM4EHSD17B10KCNQ1KMT2A

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-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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed
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.