SCHEMBL13456515

SCHEMBL13456515

CC(C)c1nc(N(C)S)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@H](CC(=O)N2C(C)CC2C)OC(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 10/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL13453051 0.90 HMGCR (0.48) HMGCRALDH1A1CYP3A4
SCHEMBL13637171 0.89 HMGCR (0.47) HMGCRALDH1A1CYP3A4
SCHEMBL13637135 0.86 HMGCR (0.46) HMGCR
SCHEMBL13456278 0.86 HMGCR (0.45) HMGCR
SCHEMBL11295264 0.81 HMGCR (0.56) HMGCRALDH1A1CYP3A4
SCHEMBL4079327 0.81 HMGCR (0.56) HMGCRALDH1A1CYP3A4
SCHEMBL1021915 0.81 HMGCR (0.56) HMGCRALDH1A1CYP3A4
SCHEMBL1022804 0.81 HMGCR (0.56) HMGCRALDH1A1CYP3A4
SCHEMBL4079319 0.81 HMGCR (0.56) HMGCRALDH1A1CYP3A4
SCHEMBL4079332 0.81 HMGCR (0.56) HMGCRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056783-A1 Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof MSN LABORATORIES LIMITED (IN) 2010-03-04 — — 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-20100056783-A1 Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof HMGCR, PCSK9, NPC1L1 HMGCR 1/4885ALDH1A1 1715/4885CYP3A4 13/4885

“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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