SCHEMBL14028014

SCHEMBL14028014

CC(C)N(C)C(=O)[C@@H](NC(=O)c1ccc(-c2csc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)n2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.51
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
SCD O00767 1/20 0.45
ADORA3 P0DMS8 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
SCHEMBL14028022 0.92 MTTP (0.50) MTTPROCK2ROCK1SCDADORA3
SCHEMBL14028011 0.90 MTTP (0.55) MTTP
SCHEMBL14028015 0.88 MTTP (0.57) MTTP
SCHEMBL14028001 0.85 MTTP (0.55) MTTPADORA3
SCHEMBL14027938 0.85 MTTP (0.72) MTTP
SCHEMBL4941165 0.84 MTTP (0.60) MTTP
SCHEMBL4941159 0.84 MTTP (0.60) MTTP
SCHEMBL14028026 0.83 ROCK2 (0.44) MTTPROCK2ROCK1SCDADORA3
SCHEMBL4844171 0.83 SCD (0.56) ROCK1SCDADORA3
SCHEMBL14028017 0.82 MTTP (0.47) MTTPROCK2ROCK1SCDADORA3

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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 MTTP 1/4885ROCK2 4307/4885ROCK1 4345/4885

“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.