SCHEMBL3862899

SCHEMBL3862899

CC(C)(C)OC(=O)CCC(=O)NCc1cccc(C=NO)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
NOS2 P35228 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 3/20 0.39
GLS O94925 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3862895 1.00 LMNA (0.42) LMNAHPGDALDH1A1PKMPOLB
SCHEMBL13657561 0.87 LMNA (0.43) LMNAHPGDALDH1A1NOS2CA2
SCHEMBL3864187 0.87 GLS (0.43) LMNAHPGDALDH1A1NOS2CA2
SCHEMBL13181773 0.84 GLS (0.47) HPGDALDH1A1PKMPOLBGLS
SCHEMBL12206558 0.84 GLS (0.47) HPGDALDH1A1PKMPOLBGLS
SCHEMBL3862371 0.82 NOS2 (0.55) LMNAHPGDALDH1A1PKMPOLB
SCHEMBL3862375 0.82 NOS2 (0.55) LMNAHPGDALDH1A1PKMPOLB
SCHEMBL3862368 0.82 NOS2 (0.55) LMNAHPGDALDH1A1PKMPOLB
SCHEMBL13651609 0.82 NOS2 (0.55) LMNAHPGDALDH1A1PKMPOLB
SCHEMBL3862321 0.81 NOS2 (0.45) LMNAALDH1A1NOS2CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253166-A1 Conjugation of Peptides NOVO NORDISK A/S (DK) 2009-10-08 US disclosed
US-20090253166-A1 Conjugation of Peptides NOVO NORDISK A/S (DK) 2009-10-08 US disclosed
US-7524813-B2 Selectively conjugated peptides and methods of making the same NOVO NORDISK HEALTH CARE AG (CH) 2009-04-28 US disclosed
US-7524813-B2 Selectively conjugated peptides and methods of making the same NOVO NORDISK HEALTH CARE AG (CH) 2009-04-28 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 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 (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-20070111926-A1 Conjugation of peptides DNPEP, ENPEP, ANPEP LMNA 4259/4885HPGD 1966/4885ALDH1A1 2226/4885
US-20090253166-A1 Conjugation of Peptides DNPEP, ENPEP, ANPEP LMNA 4259/4885HPGD 1966/4885ALDH1A1 2226/4885

“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.