SCHEMBL9914084

SCHEMBL9914084

CC(=O)N[C@@H]1C(O)[C@H](C(C)C)OC(CO)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ MAPK1 P28482 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PYGB P11216 1/20 0.43
▸ CD69 Q07108 1/20 0.43
▸ LGALS3 P17931 5/20 0.41
▸ LGALS8 O00214 2/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ LGALS7; LGALS7B P47929 2/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ LGALS9 O00182 1/20 0.40

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
SCHEMBL14025388 1.00 ALDH1A1 (0.57) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL18102361 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL11946954 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL9914082 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL14025370 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL22311649 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL18708293 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL22311199 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL22311210 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL14051305 0.89 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2PYGB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 — — US disclosed
US-8198419-B2 Glycorandomization and production of novel erythromycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 — — US disclosed
US-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 — — 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 (2 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 ALDH1A1 1950/4885THRB 4071/4885MAPK1 4161/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT ALDH1A1 2259/4885THRB 4386/4885MAPK1 4166/4885

“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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