SCHEMBL9943440

SCHEMBL9943440

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nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.40
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL10324914 1.00 HMGCR (0.40) HMGCRNLRP3
SCHEMBL12897959 0.85 NLRP3 (0.41) HMGCRNLRP3
SCHEMBL12897961 0.85 NLRP3 (0.41) HMGCRNLRP3
SCHEMBL20617446 0.84 NLRP3 (0.44) NLRP3
SCHEMBL9272620 0.83 NLRP3 (0.36) NLRP3
SCHEMBL9269795 0.83 NLRP3 (0.36) NLRP3
SCHEMBL9348220 0.83 NLRP3 (0.36) NLRP3
SCHEMBL13768714 0.81 HMGCR (0.43) HMGCR
SCHEMBL10041024 0.81 HMGCR (0.43) HMGCR
SCHEMBL13260909 0.78 HMGCR (0.41) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655650-B1 ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS (SI) 2017-12-20 EP disclosed
US-20130337485-A1 ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS D.D (SI) 2013-12-19 US disclosed
EP-2655650-A2 ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF LEK Pharmaceuticals d.d. (SI) 2013-10-30 EP disclosed
US-8404870-B2 ((2S,4R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl)methyl carboxylate and process for the production thereof LEK PHARMACEUTICALS D.D. (SI) 2013-03-26 US disclosed
US-8404870-B2 ((2S,4R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl)methyl carboxylate and process for the production thereof LEK PHARMACEUTICALS D.D. (SI) 2013-03-26 US disclosed
WO-2012095244-A2 ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-07-19 WO disclosed
EP-2465936-A1 Enzymatic synthesis of statins and intermediates thereof LEK Pharmaceuticals d.d. (SI) 2012-06-20 EP disclosed
US-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2011-02-24 US disclosed
US-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2011-02-24 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-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF HMGCR, CYP4A11, CYP4B1 HMGCR 1/4885NLRP3 637/4885

“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.