SCHEMBL630133

SCHEMBL630133

COc1cc(C[CH]C(=O)NC2CCOCC2)ccc1OC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CTSD P07339 2/20 0.48
EPHX1 P07099 1/20 0.46
HTT P42858 1/20 0.42
PTGS1 P23219 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
PDE4B Q07343 3/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM1A O60341 1/20 0.39
MAPT P10636 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 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
SCHEMBL631367 0.81 EPHX2 (0.34) MEN1KMT2ANPC1RAB9ACTSD
SCHEMBL630028 0.74 CTSD (0.59) MEN1KMT2ACTSDEPHX1HTT
SCHEMBL630170 0.74 MEN1 (0.35) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL631341 0.72 SMN1; SMN2 (0.39) NPC1RAB9ACTSDL3MBTL1
SCHEMBL2410910 0.72 KMT2A (0.57) MEN1KMT2ANPC1RAB9ACTSD
SCHEMBL630944 0.72 EPHX2 (0.38) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL20702168 0.69 ALDH1A1 (0.57) MEN1KMT2ANPC1HTTPTGS1
SCHEMBL2406403 0.68 SIGMAR1 (0.70) MEN1KMT2ACTSDEPHX1SIGMAR1
SCHEMBL5171793 0.68 CTSD (0.51) MEN1KMT2ACTSDPDE4BKDM1A
SCHEMBL28362472 0.66 ATM (0.51) KMT2APTGS1ALDH1A1

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
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 MEN1 4809/4885KMT2A 4807/4885NPC1 1264/4885

“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.