SCHEMBL3862853

SCHEMBL3862853

COC(=O)[C@H](CSCC(=O)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
PPARG P37231 10/20 0.60
PPARA Q07869 10/20 0.60
PPARD Q03181 2/20 0.60
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL3862851 1.00 ALDH1A1 (0.66) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL13651556 0.88 PPARG (0.60) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL20117226 0.84 JAK3 (0.53) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL6658424 0.84 KMT2A (0.56) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL4710388 0.83 MAPT (0.60) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL24779267 0.83 PPARA (0.54) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL28767088 0.83 PPARA (0.54) ALDH1A1MAPTPPARGPPARAPPARD
SCHEMBL7542832 0.81 PPARA (0.65) ALDH1A1PPARGPPARAPPARDKLK5
SCHEMBL7542840 0.81 PPARA (0.65) ALDH1A1PPARGPPARAPPARDKLK5
SCHEMBL25464652 0.80 CYP1A2 (0.62) ALDH1A1MAPTPPARGPPARAPPARD

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-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING Changzhou University (CN) 2023-11-30 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-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
EP-1673464-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-06-28 EP disclosed
WO-2005035553-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-04-21 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 (3 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-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING PTMS, CBS, CHAMP1 ALDH1A1 1808/4885MAPT 2383/4885PPARG 3449/4885
US-20070111926-A1 Conjugation of peptides DNPEP, ENPEP, ANPEP ALDH1A1 2226/4885MAPT 4410/4885PPARG 4518/4885
US-20090253166-A1 Conjugation of Peptides DNPEP, ENPEP, ANPEP ALDH1A1 2226/4885MAPT 4410/4885PPARG 4518/4885

“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.