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SCHEMBL2013124

SCHEMBL2013124

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.45
▸ SKP1 P63208 2/20 0.45
▸ SKP2 Q13309 2/20 0.45
▸ MAP4K4 O95819 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ KIF18A Q8NI77 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ SUV39H2 Q9H5I1 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDK2 Q15119 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
SCHEMBL2015302 0.95 CKS1B (0.43) CKS1BSKP1SKP2MAP4K4CRBN
SCHEMBL12633907 0.94 CKS1B (0.46) CKS1BSKP1SKP2MAP4K4CRBN
SCHEMBL2016854 0.89 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4CRBN
SCHEMBL2015994 0.89 RARA (0.50) CKS1BSKP1SKP2MAP4K4CRBN
SCHEMBL12804321 0.87 CKS1B (0.51) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL2016042 0.85 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4CRBN
SCHEMBL12633005 0.80 RARA (0.44) CKS1BSKP1SKP2KIF18AGPR119
SCHEMBL27872046 0.80 RARA (0.46) PIM1PIM2RARARARB
SCHEMBL2033275 0.80 PIK3CA (0.46) CKS1BSKP1SKP2MAP4K4CRBN
SCHEMBL15241221 0.79 TBK1 (0.48) CKS1BSKP1SKP2CRBNGPR119

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-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-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 CKS1B 495/4885SKP1 12/4885SKP2 511/4885

“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.