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Sugi Predict / Compounds / SCHEMBL5225722

SCHEMBL5225722

SCHEMBL5225722

COC[C@H](NC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c1C(C)C)[C@H](O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 10/20 0.74
▸ ABCB11 O95342 2/20 0.51
▸ SLCO1B1 Q9Y6L6 2/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ RHOC P08134 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ PDE6D O43924 1/20 0.46
▸ ABCC3 O15438 1/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ SLCO1B3 Q9NPD5 1/20 0.44

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
SCHEMBL5993507 1.00 HMGCR (0.74) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5225733 1.00 HMGCR (0.74) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5221341 0.91 HMGCR (0.82) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5990521 0.91 HMGCR (0.82) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5221332 0.91 HMGCR (0.82) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5992264 0.87 HMGCR (0.83) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5993062 0.87 HMGCR (0.83) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5223040 0.84 HMGCR (0.75) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL5221956 0.83 HMGCR (0.69) HMGCRABCB11SLCO1B1NR1I2RHOC
SCHEMBL6362214 0.83 HMGCR (0.69) HMGCRABCB11SLCO1B1NR1I2RHOC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 — — EP claimed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US claimed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 — — WO claimed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 — — US claimed
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 — — EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 — — WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 — — 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HMGCR 3534/4885ABCB11 3458/4885SLCO1B1 3628/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 HMGCR 1/4885ABCB11 709/4885SLCO1B1 1181/4885

“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.