SCHEMBL1764411

SCHEMBL1764411

CC(=O)O[C@H]1O[C@H](COS(=O)(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.55
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 10/20 0.42
CA1 P00915 9/20 0.42
CA9 Q16790 8/20 0.42
P4HB P07237 2/20 0.41
PDIA4 P13667 2/20 0.41
PDIA3 P30101 2/20 0.41
CA4 P22748 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.39
F10 P00742 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1764410 1.00 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL29709584 1.00 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL26824176 0.87 CA2 (0.42) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL543668 0.83 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL543667 0.83 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL1753653 0.83 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL12128029 0.83 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL5047747 0.83 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL16383664 0.83 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL11123389 0.83 CA2 (0.59) CA2CYP2D6THRBHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618269-B2 Glycorandomization and production of novel novobiocin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 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-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
US-20040259228-A1 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-12-23 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 (3 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 CA2 4512/4885CYP2D6 569/4885THRB 4071/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT CA2 4261/4885CYP2D6 1451/4885THRB 4386/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 CA2 4526/4885CYP2D6 491/4885THRB 4031/4885

“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.