SCHEMBL9915141

SCHEMBL9915141

CC1OC(CC=O)C(O)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 3/20 0.37
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
IDUA P35475 1/20 0.32

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
SCHEMBL13471588 1.00 FUCA1 (0.37) FUCA1CA9CA12CA2IDUA
SCHEMBL12899923 0.98 FUCA1 (0.34) FUCA1CA9CA12CA2
SCHEMBL27395773 0.79
SCHEMBL12015083 0.79 CA12 (0.33) CA9CA12CA2IDUA
SCHEMBL13471605 0.79 CA12 (0.33) CA9CA12CA2IDUA
SCHEMBL16620337 0.79 FUCA1 (0.37) FUCA1CA9CA12CA2
SCHEMBL9914020 0.77 FUCA1 (0.40) FUCA1CA9CA12CA2IDUA
SCHEMBL9915194 0.77 FUCA1 (0.40) FUCA1CA9CA12CA2IDUA
SCHEMBL9914017 0.77 FUCA1 (0.40) FUCA1CA9CA12CA2IDUA
SCHEMBL14025396 0.77 FUCA1 (0.40) FUCA1CA9CA12CA2IDUA

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-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 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-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT FUCA1 263/4885CA9 2500/4885CA12 1699/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 FUCA1 305/4885CA9 2663/4885CA12 2357/4885

“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.