SCHEMBL29929040

SCHEMBL29929040

O=C(N[C@H](C(=O)O)c1ccc(O)cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
EPHX2 P34913 1/20 0.52
CASP3 P42574 3/20 0.49
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
SLC17A5 Q9NRA2 1/20 0.48
ATM Q13315 2/20 0.46
MDM2 Q00987 1/20 0.43

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
SCHEMBL6507736 1.00 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31734716 1.00 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL6629894 1.00 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31121697 1.00 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL2307241 0.92 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL119848 0.92 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29384904 0.92 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL118281 0.92 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL30851468 0.92 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29401270 0.92 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53

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-20240360175-A1 PEPTIDE DERIVATIVES AND RELATED USES AS OREXIN AGONISTS OXFORD FINANCE LLC 2024-10-31 US disclosed
CN-112279888-B Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-09-13 CN 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-20240360175-A1 PEPTIDE DERIVATIVES AND RELATED USES AS OREXIN AGONISTS HCRTR2, HCRTR1, NPY1R KMT2A 831/4885EPHX2 1129/4885CASP3 3146/4885

“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.