SCHEMBL2015591

SCHEMBL2015591

CC1(C)CCC(C)(C)c2cc(-c3ccnc(Cl)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.44
RARB P10826 10/20 0.44
RARG P13631 9/20 0.44
RXRA P19793 3/20 0.43
BACE1 P56817 3/20 0.42
CTSD P07339 1/20 0.42
IDO1 P14902 1/20 0.41
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 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
SCHEMBL18961191 0.83 RARA (0.47) RARARARBRARGRXRAABCB1
SCHEMBL8512658 0.79 RARA (0.44) RARARARBRARGRXRAABCB1
SCHEMBL8510213 0.79 RARA (0.50) RARARARBRARGRXRAABCB1
SCHEMBL24794223 0.78 RARA (0.54) RARARARBRARGRXRAABCB1
SCHEMBL24794216 0.78 RARA (0.54) RARARARBRARGRXRAABCB1
SCHEMBL16998862 0.77 RARB (0.55) RARARARBRARGRXRAABCB1
SCHEMBL16998453 0.74 CCR1 (0.50) RARARARBRARGRXRAABCB1
SCHEMBL4027001 0.74 IDO1 (0.55) IDO1PARP10PARP11
SCHEMBL8510939 0.74 RARA (0.42) RARARARBRARGRXRAABCB1
SCHEMBL24795394 0.73 PGR (0.57) RARARARBRARGRXRA

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 12 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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 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 (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 4194/4885RARG 4187/4885

“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.