SCHEMBL13456278

SCHEMBL13456278

CCCCNC(=O)C[C@H]1C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S)nc2C(C)C)OC(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 12/20 0.45
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL2222602 0.92 HMGCR (0.49) HMGCRHDAC1HDAC2HDAC6
SCHEMBL2222607 0.92 HMGCR (0.49) HMGCRHDAC1HDAC2HDAC6
SCHEMBL14243567 0.92 HMGCR (0.45) HMGCRHDAC1HDAC2HDAC6
SCHEMBL13453051 0.88 HMGCR (0.48) HMGCR
SCHEMBL13637171 0.86 HMGCR (0.47) HMGCRHDAC1HDAC2HDAC6
SCHEMBL14243679 0.86 HMGCR (0.47) HMGCR
SCHEMBL13456515 0.86 HMGCR (0.45) HMGCR
SCHEMBL13637135 0.84 HMGCR (0.46) HMGCR
SCHEMBL12045143 0.80 HMGCR (0.51) HMGCRHDAC1HDAC2HDAC6
SCHEMBL4079319 0.79 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6

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
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
WO-2008044243-A9 NOVEL PROCESS FOR THE PREPARATION OF STATINS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SATYANARAYANA REDDY MANNE (IN) 2008-11-13 — — WO disclosed
WO-2008044243-A2 NOVEL PROCESS FOR THE PREPARATION OF STATINS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SATYANARAYANA REDDY MANNE (IN) 2008-04-17 — — WO 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 1/4885HDAC1 1089/4885HDAC2 1311/4885

“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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