SCHEMBL10169787

SCHEMBL10169787

Cc1ccc(S(=O)(=O)ONc2cccc(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
MAPT P10636 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
TCF4 P15884 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
PPIA P62937 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
SCHEMBL10169078 0.85 MAPT (0.51) RAB9AMAPTALDH1A1MAPK1KMT2A
SCHEMBL6324043 0.81 RAB9A (0.61) RAB9AMAPTTCF4CTNNB1ALDH1A1
SCHEMBL10169583 0.80 MAPT (0.46) RAB9AMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL7783915 0.75 CA12 (0.56) L3MBTL1ALDH1A1KMT2ATDP1LMNA
Benzyl Benzoate SCHEMBL19206942 0.75 KMT2A (0.82) RAB9AMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL11380594 0.75 CA1 (0.63) RAB9AMAPTL3MBTL1KMT2ALMNA
SCHEMBL31137861 0.74 TDP1 (0.69) RAB9AMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL6057244 0.74 TDP1 (0.69) RAB9AMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL6653627 0.74 L3MBTL1 (0.61) RAB9AMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL6324694 0.74 RAB9A (0.60) RAB9AMAPTALDH1A1MAPK1KMT2A

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 2 patents. 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
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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 3084/4885MAPT 1177/4885L3MBTL1 1494/4885

“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.