Sugi Predict

Sugi Predict / Compounds / SCHEMBL419242

SCHEMBL419242

SCHEMBL419242

COC(=O)c1cc(N)cc(OCCC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 4/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ATAD2 Q6PL18 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
SCHEMBL418506 0.85 MAPK1 (0.60) TDP1MAPK1EPHX2GAANR1H4
SCHEMBL12806374 0.83 PLA2G2A (0.50) MAPK1EPHX2MAPTGAANR1H4
SCHEMBL17113192 0.81 MAPK1 (0.44) MAPK1EPHX2MAPTGAANR1H4
SCHEMBL5220844 0.80 ALDH1A1 (0.45) TDP1MAPTGAAKDM4EALDH1A1
SCHEMBL31388082 0.80 ALDH1A1 (0.45) TDP1MAPTGAAKDM4EALDH1A1
SCHEMBL9168136 0.80 PLA2G2A (0.57) MAPTALDH1A1RAB9ATSHR
SCHEMBL419486 0.80 KMT2A (0.47) TDP1MAPK1MAPTNR1H4KDM4E
SCHEMBL417125 0.79 GAA (0.62) MAPK1MAPTGAAALDH1A1KMT2A
SCHEMBL19019918 0.78 NR1H4 (0.62) MAPK1EPHX2MAPTNR1H4ALDH1A1
SCHEMBL15055311 0.77 USP2 (0.44) TDP1MAPTGAAKDM4EALDH1A1

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 5 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-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-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 TDP1 1943/4885MAPK1 4510/4885EPHX2 3097/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ TDP1 2264/4885MAPK1 4503/4885EPHX2 2808/4885

“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.