SCHEMBL631175

SCHEMBL631175

NC(=O)[C@@H](O)c1ccc(C[CH]C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 10/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
F2 P00734 1/20 0.46
F7 P08709 1/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL631402 0.82 HDAC8 (0.50) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL630623 0.81 MAPT (0.52) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL631406 0.77 NR4A1 (0.45) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL631095 0.76 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL5171459 0.72 MAPT (0.51) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL28786813 0.71 MAPT (0.65) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL5172899 0.70 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2MAPTNPC1
Bicarbonate SCHEMBL3549893 0.70 MAPT (0.60) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL1592539 0.70 MAPT (0.58) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL631176 0.70 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MAPTPOLB

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 ALDH1A1 3038/4885LMNA 3463/4885SMN1; SMN2 498/4885

“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.