SCHEMBL4096717

SCHEMBL4096717

CC(C)(C)N(CC(O)CCl)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 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
SCHEMBL4096716 1.00 MEN1 (0.31) MEN1HTTKMT2AL3MBTL1CA1
SCHEMBL20974178 0.87 MEN1 (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL2788268 0.82 ACACB (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL18340854 0.82 ACACB (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL20480362 0.80 GABRR1 (0.40) MEN1HTTKMT2AL3MBTL1
SCHEMBL20974323 0.80 GABRR1 (0.40) MEN1HTTKMT2AL3MBTL1
SCHEMBL1023140 0.80 GABRR1 (0.40) MEN1HTTKMT2AL3MBTL1
SCHEMBL9129576 0.79 MEN1 (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL16699764 0.78 THRB (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL13731404 0.77 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1

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
CN-106317072-B Heterocyclic compounds for the treatment of mycobacterial infections and uses thereof 盟科医药技术(上海)有限公司 2020-03-17 CN disclosed
US-20090221655-A1 ANTIBACTERIAL AGENTS PITZER, INC. (US) 2009-09-03 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-20090221655-A1 ANTIBACTERIAL AGENTS OXSR1, CBR3, AOC3 MEN1 3546/4885HTT 2255/4885KMT2A 3830/4885

“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.