Sugi Predict

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SCHEMBL4368382

SCHEMBL4368382

CCOC(=O)c1cnc(C(NC(=O)OC(C)(C)C)C(C)C)n(Cc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ P2RX3 P56373 8/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 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
SCHEMBL4373507 0.88 KIF11 (0.43) CRHBPCRHR2P2RX3KDM4ETSHR
SCHEMBL4368388 0.80 CRHBP (0.43) CRHBPCRHR2P2RX3KDM4ETSHR
SCHEMBL13956803 0.79 P2RX7 (0.42) ABCB1TSHRMAPTATM
SCHEMBL4365764 0.79 P2RX7 (0.41) ABCB1TSHRMAPTATM
SCHEMBL4363431 0.78 AR (0.41) ABCB1TSHRMAPTALDH1A1ATM
SCHEMBL4366846 0.76 CTSS (0.42) TSHRNPSR1ALDH1A1POLBATM
SCHEMBL4365067 0.76 CTSS (0.42) TSHRNPSR1ALDH1A1POLB
SCHEMBL13956769 0.76 BRD4 (0.42) ABCB1TSHRNPSR1MAPTATM
SCHEMBL14563396 0.75 SCD (0.43) TSHRNPSR1MAPTALDH1A1ATM
SCHEMBL3493003 0.73 GAA (0.53) TSHRNPSR1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 — — US disclosed
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 — — US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 — — US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 — — US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 — — US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 — — US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 — — EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 — — EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 — — US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 — — 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 (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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CRHBP 1777/4885CRHR2 4432/4885P2RX3 4782/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CRHBP 1777/4885CRHR2 4432/4885P2RX3 4782/4885

“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.