SCHEMBL630967

SCHEMBL630967

N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
LMNA P02545 3/20 0.59
HIF1A Q16665 3/20 0.55
EPAS1 Q99814 3/20 0.55
AKR1C3 P42330 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
MAPKAPK2 P49137 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
SCHEMBL629830 0.84 MAPT (0.52) MAPTATMALDH1A1JAK2JAK3
SCHEMBL631403 0.84 MAPT (0.65) MAPTLMNAATMALDH1A1
SCHEMBL2987608 0.84 MAPT (0.65) MAPTLMNAATMALDH1A1
SCHEMBL631176 0.83 ALDH1A1 (0.53) MAPTLMNAL3MBTL1ATMALDH1A1
SCHEMBL630624 0.83 MAPT (0.65) MAPTHIF1AEPAS1MEN1KMT2A
SCHEMBL21529038 0.81 KIF11 (0.57) MAPTEPHX2ALDH1A1
SCHEMBL21529039 0.81 KIF11 (0.57) MAPTEPHX2ALDH1A1
SCHEMBL5171022 0.80 MAPT (0.58) MAPTLMNAHIF1AEPAS1AKR1C3
SCHEMBL3994030 0.80 EPHX2 (0.70) MAPTLMNAAKR1C3L3MBTL1EPHX2
SCHEMBL21880198 0.79 MAPT (0.65) MAPTHIF1AEPAS1MEN1KMT2A

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 MAPT 192/4885LMNA 3463/4885HIF1A 3348/4885

“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.