SCHEMBL1261446

SCHEMBL1261446

CO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.40
▸ CA1 P00915 7/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ ELANE P08246 2/20 0.38
▸ CA12 O43570 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12904047 0.86 CA1 (0.39) CA2CA1CA9ELANECA12
SCHEMBL12345932 0.85 CA1 (0.38) CA2CA1CA9ELANECA12
SCHEMBL2237367 0.85 CA1 (0.38) CA2CA1CA9ELANECA12
SCHEMBL14010731 0.81 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL9124510 0.80 CA2 (0.46) CA2CA1CA9ELANECA12
SCHEMBL12345933 0.79 CA2 (0.40) CA2CA1CA9ELANECA12
SCHEMBL14010732 0.79 CA2 (0.40) CA2CA1CA9ELANECA12
SCHEMBL4107981 0.79 CA2 (0.39) CA2CA1CA9ELANECA12
SCHEMBL26823537 0.77 CA1 (0.33) CA2CA1CA9ELANECA12
SCHEMBL23288110 0.76 CA2 (0.41) CA2CA1CA9ELANECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 — — US claimed
EP-2464623-A1 THE RING OPENING OF LACTONES AND LACTAMS Novartis AG (CH) 2012-06-20 — — EP claimed
WO-2011019789-A1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2011-02-17 — — WO claimed
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 — — EP disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2012-06-28 — — 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 (1 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-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 CA2 3701/4885CA1 1473/4885CA9 1452/4885

“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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