SCHEMBL418506

SCHEMBL418506

CC(C)CCOc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
NR1H4 Q96RI1 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLA2G2A P14555 1/20 0.49
RARB P10826 1/20 0.47
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.43
XDH P47989 2/20 0.43
THRB P10828 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
THRA P10827 1/20 0.40
MEN1 O00255 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL419242 0.85 TDP1 (0.47) MAPK1NR1H4TDP1HTTGAA
SCHEMBL10169578 0.83 MAPK1 (0.62) MAPK1NR1H4PLA2G2ARARBHTT
SCHEMBL10137630 0.82 MAPK1 (0.60) MAPK1NR1H4TDP1PLA2G2ARARB
SCHEMBL19806813 0.81 PLA2G2A (0.63) MAPK1NR1H4PLA2G2ARARBTSHR
SCHEMBL419486 0.80 KMT2A (0.47) MAPK1NR1H4TDP1HTTALDH1A1
SCHEMBL28995925 0.79 PLA2G2A (0.51) NR1H4TDP1PLA2G2AHTTGAA
SCHEMBL13039721 0.78 MAPK1 (0.56) MAPK1NR1H4TDP1PLA2G2ARARB
SCHEMBL418688 0.77 MAPK1 (0.55) MAPK1NR1H4PLA2G2ARARBHTT
SCHEMBL19019858 0.77 NR1H4 (0.76) MAPK1NR1H4RARBHSD17B10KMT2A
SCHEMBL21391915 0.76 PLA2G2A (0.69) MAPK1PLA2G2ARARBTSHRKMT2A

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
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
WO-2004018644-A2 HETEROGENEOUS FOLDAMERS CONTAINING α, β, AND/OR Ϝ-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-04 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 (2 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 MAPK1 4510/4885NR1H4 3025/4885TDP1 1943/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ MAPK1 4503/4885NR1H4 2839/4885TDP1 2264/4885

“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.