SCHEMBL3081089

SCHEMBL3081089

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMBR P28336 6/20 0.76
MAPT P10636 3/20 0.75
GAA P10253 1/20 0.75
HTT P42858 1/20 0.75
LMNA P02545 1/20 0.73
CA2 P00918 1/20 0.64
BMP1 P13497 1/20 0.64
MMP2 P08253 3/20 0.63
MMP9 P14780 2/20 0.63
MMP8 P22894 2/20 0.63
TACR1 P25103 2/20 0.63
MMP1 P03956 1/20 0.60
MME P08473 2/20 0.60
ECE1 P42892 2/20 0.60
SIRT5 Q9NXA8 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL8019332 0.92 NMBR (0.71) NMBRMAPTGAAHTTLMNA
SCHEMBL12706375 0.91 NMBR (0.75) NMBRMAPTGAAHTTLMNA
SCHEMBL5380441 0.90 NMBR (0.74) NMBRMAPTGAAHTTLMNA
SCHEMBL14595064 0.90 NMBR (0.74) NMBRMAPTGAAHTTLMNA
SCHEMBL8257108 0.89 MAPT (0.89) NMBRMAPTGAAHTTLMNA
SCHEMBL19102167 0.89 MAPT (0.89) NMBRMAPTGAAHTTLMNA
SCHEMBL5189454 0.89 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL14595066 0.89 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL2417039 0.89 NMBR (0.90) NMBRMAPTGAAHTTLMNA
SCHEMBL5189427 0.89 NMBR (0.76) NMBRMAPTGAAHTTLMNA

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 4 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 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 NMBR 1470/4885MAPT 192/4885GAA 2479/4885

“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.