SCHEMBL20713947

SCHEMBL20713947

CNc1nc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@H](CC(N)=O)OC(C)(C)O2)c(C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 11/20 0.49

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
SCHEMBL7952917 0.93 HMGCR (0.49) HMGCR
SCHEMBL20699721 0.91 HMGCR (0.48) HMGCR
SCHEMBL4451033 0.89 HMGCR (0.48) HMGCR
SCHEMBL4453080 0.89 HMGCR (0.48) HMGCR
SCHEMBL20713953 0.89 HMGCR (0.47) HMGCR
SCHEMBL20713949 0.85 HMGCR (0.44) HMGCR
Methylamine SCHEMBL3171804 0.85 HMGCR (0.46) HMGCR
SCHEMBL19231349 0.85 HMGCR (0.53) HMGCR
SCHEMBL20713950 0.84 HMGCR (0.46) HMGCR
SCHEMBL3167877 0.84 HMGCR (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 — — US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 — — 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-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE FABP3, TNNI3, TNNT2 HMGCR 18/4885
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. FABP3, TNNI3, TNNT2 HMGCR 16/4885

“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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