Sugi Predict

Sugi Predict / Compounds / SCHEMBL3229222

SCHEMBL3229222

SCHEMBL3229222

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 2/20 0.43
▸ GCGR P47871 2/20 0.36
▸ GIPR P48546 2/20 0.36
▸ TAS1R3 Q7RTX0 4/20 0.35
▸ TAS1R1 Q7RTX1 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PPARG P37231 5/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ SCD O00767 1/20 0.33

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
SCHEMBL3219631 0.96 CENPE (0.43) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3216447 0.94 CENPE (0.42) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3224792 0.93 CENPE (0.41) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3233254 0.93 CENPE (0.42) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3229213 0.91 CENPE (0.51) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL3234452 0.90 CENPE (0.43) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3229404 0.90 CENPE (0.44) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3233022 0.88 CENPE (0.44) CENPETAS1R3TAS1R1PPARGROCK2
SCHEMBL4773463 0.88 CENPE (0.45) CENPEGCGRGIPRTAS1R3TAS1R1
SCHEMBL3219723 0.87 CENPE (0.43) CENPEGCGRGIPRTAS1R3TAS1R1

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.