SCHEMBL2014970

SCHEMBL2014970

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C5CCNCC5)CC4)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
ASIC3 Q9UHC3 1/20 0.40
HRH3 Q9Y5N1 4/20 0.36
KHK P50053 5/20 0.36
KARS1 Q15046 1/20 0.36
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 1/20 0.35
TNF P01375 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
CNR1 P21554 1/20 0.35
RARG P13631 1/20 0.34

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
SCHEMBL2014630 0.87 RARA (0.51) RARARARBASIC3KARS1PIM1
SCHEMBL8515452 0.83 RARA (0.44) RARARARBASIC3KARS1PIM1
SCHEMBL2012653 0.83 RARB (0.43) RARARARBHRH3PIM1PIM2
SCHEMBL2013665 0.83 IRAK4 (0.49) RARARARBKARS1PIM1PIM2
SCHEMBL2222551 0.82 PTPN1 (0.44)
SCHEMBL12633005 0.81 RARA (0.44) RARARARBHRH3
SCHEMBL12632972 0.81 RARB (0.43) RARARARBHRH3PIM1CNR1
SCHEMBL12632945 0.81 RARB (0.56) RARARARBPIM1PIM2CNR1
SCHEMBL8515149 0.80 RARA (0.49) RARARARBHRH3KARS1PIM1
SCHEMBL12959457 0.80 RARB (0.54) RARARARBPIM1PIM2CNR1

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 11 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
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
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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US 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 (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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 RARA 4373/4885RARB 4194/4885ASIC3 2629/4885

“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.