SCHEMBL630028

SCHEMBL630028

COc1ccc(C[C@H](N)C(=O)NC2CCOCC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP2C9 P11712 1/20 0.47
LDHA P00338 1/20 0.47
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CTSK P43235 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL631368 0.85 EPHX2 (0.48) CTSDKMT2ACYP2C9LDHASMN1; SMN2
SCHEMBL8269069 0.79 SLC7A5 (0.49)
SCHEMBL631342 0.78 SMN1; SMN2 (0.46) CTSDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4081808 0.78 CTSD (0.49) CTSDSMN1; SMN2ALDH1A1
SCHEMBL5171793 0.78 CTSD (0.51) CTSDMEN1KMT2ALMNA
SCHEMBL23072707 0.77 CTSD (0.40) CTSDMEN1KMT2AALDH1A1LMNA
SCHEMBL9356853 0.77 LDHA (0.66) MEN1KMT2ALDHAHTTALDH1A1
SCHEMBL630945 0.77 ACACB (0.47) CTSD
Hydrochloric Acid SCHEMBL9352848 0.76 LDHA (0.64) MEN1KMT2ALDHAHTTALDH1A1
SCHEMBL630171 0.76 SOS1 (0.47) CTSDMEN1KMT2AALDH1A1

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 10 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
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 CTSD 3699/4885MEN1 4809/4885KMT2A 4807/4885

“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.