SCHEMBL393503

SCHEMBL393503

O=C(O)CNC(=O)OCOC(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA5 P08648 1/20 0.30

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
SCHEMBL390786 0.93 ADRB2 (0.37) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL392299 0.93 ATM (0.38) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL392016 0.92 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL1885005 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL390378 0.75 LMNA (0.39) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL393242 0.73 LMNA (0.41) ALDH1A1KMT2ALMNAL3MBTL1EGLN1
SCHEMBL206033 0.72 PTGIR (0.45) ALDH1A1LMNAEGLN1BCHE
SCHEMBL3887942 0.71 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL18816752 0.71 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL18792727 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 ALDH1A1 1826/4885KMT2A 2161/4885MEN1 1471/4885

“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.