Sugi Predict

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SCHEMBL3216796

SCHEMBL3216796

CCCOc1ccc(C(=O)N[C@H](CC(=O)NC)Cc2ccc(-c3cn(CC)c(C(C)(C)O)n3)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.40
▸ GCGR P47871 2/20 0.36
▸ GIPR P48546 2/20 0.36
▸ PPARG P37231 6/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ TAS1R3 Q7RTX0 3/20 0.33
▸ TAS1R1 Q7RTX1 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KIFC1 Q9BW19 1/20 0.32

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
SCHEMBL3231108 0.92 CENPE (0.41) CENPEGCGRGIPRPPARGNLRP3
SCHEMBL3216793 0.91 CENPE (0.49) CENPEPDK1PDK2PDK3PDK4
SCHEMBL3224913 0.89 CENPE (0.42) CENPEGCGRGIPRPPARGNLRP3
SCHEMBL3233612 0.89 CENPE (0.44) CENPEPDK1PDK2PDK3PDK4
SCHEMBL3228780 0.87 CENPE (0.56) CENPEGCGRGIPRPPARGNLRP3
SCHEMBL3223153 0.85 CENPE (0.44) CENPEGCGRGIPRPPARGNLRP3
SCHEMBL3228312 0.84 CENPE (0.42) CENPEGCGRGIPRPPARGNLRP3
SCHEMBL3233700 0.84 CENPE (0.43) CENPE
SCHEMBL3228196 0.83 CENPE (0.42) CENPEGCGRGIPRPPARGNLRP3
SCHEMBL2101580 0.83 CENPE (0.48) CENPEPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — US claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — US claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 — — US claimed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 — — US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — 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 (3 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885GCGR 4790/4885GIPR 4660/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885GCGR 4790/4885GIPR 4660/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885GCGR 4790/4885GIPR 4660/4885

“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.