SCHEMBL9914082

SCHEMBL9914082

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ THRB P10828 1/20 0.63
▸ MAPK1 P28482 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CD69 Q07108 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PYGB P11216 1/20 0.45
▸ MMP12 P39900 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL25518922 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL14051305 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL14025370 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL18102361 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22311649 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL11946954 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL18708293 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22311199 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22311210 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL9914084 0.89 ALDH1A1 (0.57) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780872-B2 Oligosaccharide analytical standards UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2023-10-10 — — US disclosed
US-11739122-B2 Glycopeptide antibiotic compounds, methods for producing the same, and uses thereof ACADEMIA SINICA (TW) 2023-08-29 — — US disclosed
US-10961278-B2 Vancomycin derivative, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-03-30 — — US disclosed
US-20190153036-A1 VANCOMYCIN DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-05-23 — — US disclosed
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GLYCOM A/S (DK) 2015-07-02 — — US disclosed
US-20130012466-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-10 — — US disclosed
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 (8 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-11780872-B2 Oligosaccharide analytical standards OSTC, FUT5, FUT6 ALDH1A1 2232/4885THRB 1476/4885MAPK1 3330/4885
US-10961278-B2 Vancomycin derivative, preparation method, pharmaceutical composition and use thereof PEPD, VIP, NRDC ALDH1A1 3447/4885THRB 2955/4885MAPK1 2106/4885
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GALE, SI, FUT6 ALDH1A1 786/4885THRB 1340/4885MAPK1 3663/4885
US-20130012466-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE TUBB6, TUBB, TUBA1C ALDH1A1 3136/4885THRB 4536/4885MAPK1 3599/4885
US-20190153036-A1 VANCOMYCIN DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PEPD, VIP, NRDC ALDH1A1 3447/4885THRB 2955/4885MAPK1 2106/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT ALDH1A1 2259/4885THRB 4386/4885MAPK1 4166/4885
US-11739122-B2 Glycopeptide antibiotic compounds, methods for producing the same, and uses thereof NGLY1, NRDC, MGAT3 ALDH1A1 3782/4885THRB 128/4885MAPK1 2346/4885

“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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