SCHEMBL2670045

SCHEMBL2670045

CC(C)(C)OC(=O)CC(N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.45
LTA4H P09960 3/20 0.43
SPHK2 Q9NRA0 1/20 0.43
S1PR1 P21453 7/20 0.42
S1PR3 Q99500 7/20 0.42
AAK1 Q2M2I8 1/20 0.40
S1PR4 O95977 5/20 0.40
S1PR5 Q9H228 5/20 0.40
S1PR2 O95136 2/20 0.39
CYP17A1 P05093 1/20 0.39
ROCK1 Q13464 1/20 0.38
MYLK4 Q86YV6 1/20 0.38

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
SCHEMBL2670047 1.00 SPHK1 (0.45) SPHK1LTA4HSPHK2S1PR1S1PR3
SCHEMBL18921010 0.87 SPHK1 (0.47) SPHK1LTA4HSPHK2S1PR1S1PR3
SCHEMBL18921008 0.87 SPHK1 (0.47) SPHK1LTA4HSPHK2S1PR1S1PR3
SCHEMBL7033590 0.86 MAPT (0.45) LTA4HS1PR1S1PR3AAK1
SCHEMBL6286634 0.85 S1PR1 (0.43) SPHK1LTA4HSPHK2S1PR1S1PR3
SCHEMBL12155254 0.85 LTA4H (0.49) LTA4HS1PR1S1PR3
SCHEMBL7136775 0.84 HPGD (0.46) LTA4HS1PR1S1PR3AAK1
SCHEMBL22644041 0.84 LTA4H (0.45) SPHK1LTA4HSPHK2S1PR1S1PR3
SCHEMBL16784039 0.83 SPHK1 (0.46) SPHK1CYP17A1ROCK1MYLK4
SCHEMBL22457856 0.82 SUV39H2 (0.46) SPHK1SPHK2S1PR1S1PR3AAK1

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-9487520-B2 Coelenterazine derivatives and methods of using same PROMEGA CORPORATION (US) 2016-11-08 US disclosed
EP-2635583-B1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME PROMEGA CORP (US) 2015-06-03 EP disclosed
EP-2635583-A1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME Promega Corporation (US) 2013-09-11 EP disclosed
CN-103180324-A Coelenterazine derivatives and methods of using same PROMEGA CORP 2013-06-26 CN disclosed
WO-2012061477-A1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME PROMEGA CORPORATION (US) 2012-05-10 WO disclosed
US-20120107849-A1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-05-03 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 (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-20120107849-A1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME SI, CNDP2, PEPD SPHK1 3101/4885LTA4H 412/4885SPHK2 3049/4885

“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.