SCHEMBL13194019

SCHEMBL13194019

CC1(C)O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ GLB1 P16278 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL14929306 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL325079 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL12374613 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL11982565 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL16884139 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL12302343 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL1739854 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL11965635 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL24672314 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL8815319 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 — — EP disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 — — US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 — — 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885CA1 2434/4885CA9 3068/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 CA2 3434/4885CA1 1940/4885CA9 2563/4885

“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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