SCHEMBL24542837

SCHEMBL24542837

CC(C)(C)NC(=O)[C@H](CO)NCCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.35
▸ BBOX1 O75936 2/20 0.33
▸ NAALAD2 Q9Y3Q0 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ MME P08473 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL24542838 0.78 MMP3 (0.33) PTGS1KCNH2
SCHEMBL24543237 0.77 CTSS (0.33) —
SCHEMBL22567170 0.76 TGFBR1 (0.37) ECE1BBOX1NAALAD2MME
SCHEMBL24543232 0.74 CTSS (0.36) —
SCHEMBL24543149 0.74 SPHK1 (0.36) PTGS1KCNH2
SCHEMBL13428229 0.69 HDAC2 (0.32) —
SCHEMBL29954080 0.67 ECE1 (0.40) ECE1BBOX1
SCHEMBL13599664 0.67 MAPT (0.40) MAPT
SCHEMBL24729188 0.67 MAPT (0.40) MAPT
SCHEMBL8369782 0.66 — —

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 ECE1 1476/4885BBOX1 1072/4885NAALAD2 957/4885

“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.

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