SCHEMBL12127996

SCHEMBL12127996

CC(=O)NC1[C@@H](C)OC(CO)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.45
▸ HRAS P01112 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MDM2 Q00987 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MDM4 O15151 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ LGALS3 P17931 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LGALS7; LGALS7B P47929 2/20 0.40
▸ LGALS9 O00182 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS1 P09382 1/20 0.39

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
SCHEMBL12128062 1.00 TACR2 (0.45) TACR2HRASTP53MDM2L3MBTL1
SCHEMBL24378386 0.88 TP53 (0.55) TACR2TP53MDM2MDM4HSP90AA1
SCHEMBL13296082 0.88 TP53 (0.55) TACR2TP53MDM2MDM4HSP90AA1
SCHEMBL7774709 0.88 MAPK1 (0.50) TACR2HRASTP53MDM2L3MBTL1
SCHEMBL13296098 0.84 TP53 (0.55) TACR2TP53MDM2MDM4HSP90AA1
SCHEMBL13491610 0.84 MAPK1 (0.48) TACR2HRASTP53MDM2L3MBTL1
SCHEMBL7152991 0.83 L3MBTL1 (0.53) TP53MDM2L3MBTL1MDM4HSP90AA1
SCHEMBL1149280 0.82 HRAS (0.47) TACR2HRASL3MBTL1LGALS3LMNA
SCHEMBL6553315 0.82 LGALS3 (0.47) HRASTP53MDM2L3MBTL1LGALS3
SCHEMBL7233754 0.82 L3MBTL1 (0.44) TACR2HRASTP53MDM2L3MBTL1

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-8062641-B2 Immunogens for meningitidis-A vaccines NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-20090304734-A1 IMMUNOGENS FOR MENINGITIDIS-A VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2009-12-10 — — 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-20090304734-A1 IMMUNOGENS FOR MENINGITIDIS-A VACCINES MAN2A1, ALG1, MNS1 TACR2 4518/4885HRAS 4727/4885TP53 3311/4885

“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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