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SCHEMBL12804682

SCHEMBL12804682

CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DKK1 O94907 3/20 0.39
▸ PTPN11 Q06124 2/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ RARB P10826 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ CDK4 P11802 2/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ RARG P13631 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ HRH4 Q9H3N8 4/20 0.32
▸ SORD Q00796 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL2014344 1.00 DKK1 (0.39) DKK1PTPN11CARM1PRMT6PRMT8
SCHEMBL2014336 1.00 DKK1 (0.39) DKK1PTPN11CARM1PRMT6PRMT8
SCHEMBL2014322 0.95 DKK1 (0.42) DKK1PTPN11CARM1PRMT6PRMT8
SCHEMBL12804538 0.95 DKK1 (0.42) DKK1PTPN11CARM1PRMT6PRMT8
SCHEMBL2014325 0.95 DKK1 (0.42) DKK1PTPN11CARM1PRMT6PRMT8
SCHEMBL2015668 0.85 HRH4 (0.39) PTPN11RARBRARGHRH4
SCHEMBL2013182 0.85 HRH4 (0.39) PTPN11RARBRARGHRH4
SCHEMBL2013178 0.85 HRH4 (0.39) PTPN11RARBRARGHRH4
SCHEMBL2016108 0.81 PTPN11 (0.41) PTPN11RARBRARACDK4CDK6
SCHEMBL2016107 0.81 PTPN11 (0.41) PTPN11RARBRARACDK4CDK6

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 7 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
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

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 DKK1 2388/4885PTPN11 1089/4885CARM1 1306/4885

“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.