SCHEMBL10137578

SCHEMBL10137578

CC(C)CCOc1cc(NC(=O)[C@H]2CCC[C@@H]2C)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NR1H4 Q96RI1 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TERF2 Q15554 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10137605 0.93 RAB9A (0.37) RAB9ANR1H4NPSR1KMT2AGAA
SCHEMBL10137691 0.91 NR1H4 (0.40) RAB9ANR1H4NPSR1TERF2
SCHEMBL10137720 0.91 RAB9A (0.41) RAB9ANR1H4NPSR1KMT2AGAA
SCHEMBL10137694 0.89 RAB9A (0.43) RAB9ANR1H4NPSR1KMT2AGAA
SCHEMBL10137705 0.87 CTSB (0.41) RAB9ANPSR1
SCHEMBL12993235 0.87 CTSB (0.41) RAB9ANPSR1
SCHEMBL12993332 0.84 CTSB (0.39) RAB9ANR1H4TERF2
SCHEMBL12993249 0.84 CTSB (0.39) RAB9ANR1H4TERF2
SCHEMBL12993327 0.84 CTSB (0.39) RAB9ANR1H4TERF2
SCHEMBL10137690 0.83 NR1H4 (0.47) RAB9ANR1H4NPSR1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ RAB9A 3084/4885NR1H4 2839/4885NPSR1 3184/4885

“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.