SCHEMBL24543403

SCHEMBL24543403

CCC(C)(C)NC(=O)C(C)(N)CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12335922 0.80 EPHX1 (0.41) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL12591338 0.75 EPHX1 (0.44) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL27410375 0.74 MMP1 (0.33) KMT2A
SCHEMBL21661357 0.73
SCHEMBL10063312 0.73 EPHX1 (0.42) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL4173669 0.71 POLB (0.35)
Hydrochloric Acid SCHEMBL31604845 0.71 GGT1 (0.30)
SCHEMBL19199689 0.71 KDM4E (0.42) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL28641293 0.70
SCHEMBL729760 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 EPHX1 1982/4885HPGD 702/4885L3MBTL1 2614/4885

“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.