SCHEMBL2016481

SCHEMBL2016481

CC1(C)CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.40
LIPG Q9Y5X9 12/20 0.40
BACE1 P56817 3/20 0.39
ROCK1 Q13464 1/20 0.38
P2RX7 Q99572 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2225037 0.90 BACE1 (0.43) LPLLIPGBACE1ROCK1CA1
SCHEMBL2010946 0.89 LPL (0.39) LPLLIPGBACE1ROCK1P2RX7
SCHEMBL10158552 0.85 LPL (0.41) LPLLIPGBACE1ROCK1P2RX7
SCHEMBL24275634 0.85 LPL (0.41) LPLLIPGBACE1ROCK1P2RX7
SCHEMBL16998416 0.84 LPL (0.42) LPLLIPGBACE1ROCK1P2RX7
SCHEMBL15241260 0.82 RXRA (0.34) RXRARXRBRXRG
SCHEMBL24275633 0.80 LPL (0.37) LPLLIPGBACE1ROCK1P2RX7
SCHEMBL5781980 0.80 LPL (0.46) LPLLIPGBACE1P2RX7CA1
SCHEMBL4158988 0.80 LPL (0.44) LPLLIPGBACE1ROCK1P2RX7
SCHEMBL2012175 0.80 LPL (0.44) LPLLIPGBACE1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 EP disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 EP disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 LPL 2372/4885LIPG 1527/4885BACE1 374/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 LPL 2320/4885LIPG 478/4885BACE1 1217/4885

“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.