SCHEMBL10169583

SCHEMBL10169583

Cc1ccc(S(=O)(=O)ONc2cc(OCCC(C)C)cc(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NR1H4 Q96RI1 2/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.39
AR P10275 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
P2RX7 Q99572 2/20 0.37
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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 0.86 MAPT (0.51) MAPTLMNARAB9AARALDH1A1
SCHEMBL10137585 0.83 MAPT (0.50) MAPTLMNARAB9AARALDH1A1
SCHEMBL10169787 0.80 RAB9A (0.58) MAPTLMNARAB9AALDH1A1MAPK1
SCHEMBL419486 0.75 KMT2A (0.47) MAPTNR1H4LMNARAB9AALDH1A1
SCHEMBL6539253 0.72 MAPK1 (0.62) MAPTNR1H4LMNARAB9AALDH1A1
SCHEMBL10137578 0.71 RAB9A (0.42) NR1H4LMNARAB9AALDH1A1MMP9
SCHEMBL10137720 0.71 RAB9A (0.41) NR1H4LMNARAB9AMMP9MMP2
SCHEMBL10137694 0.71 RAB9A (0.43) NR1H4LMNARAB9AADAM17KDM4E
SCHEMBL23524843 0.69 LMNA (0.52) MAPTLMNAARALDH1A1P2RX7
SCHEMBL27474104 0.68 CTSK (0.48) MAPTLMNACA1CA2

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 MAPT 1177/4885NR1H4 2839/4885LMNA 1962/4885

“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.