SCHEMBL8510992

SCHEMBL8510992

CC1(C)CCC(C)(C)c2cc(-c3cccc(C(N)=O)n3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.66
RARA P10276 7/20 0.66
RARG P13631 7/20 0.52
SCN9A Q15858 8/20 0.50
RXRA P19793 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.46
MAP3K14 Q99558 1/20 0.46

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
SCHEMBL2225102 0.80 RARA (0.60) RARBRARARARGRXRAIRAK4
SCHEMBL12959653 0.78 RARA (0.62) RARBRARARARGRXRAIRAK4
SCHEMBL12632982 0.77 RARB (0.60) RARBRARARARGRXRA
SCHEMBL2015459 0.77 RARB (0.60) RARBRARARARGRXRA
SCHEMBL16998817 0.76 RARB (0.60) RARBRARARARGRXRAIRAK4
SCHEMBL8511470 0.76 RARB (0.64) RARBRARARARGRXRA
SCHEMBL16998447 0.76 RARB (0.60) RARBRARARARGRXRA
SCHEMBL8514598 0.75 RARB (0.52) RARBRARARARGRXRA
Trifluoroacetic Acid SCHEMBL8510709 0.74 RARB (0.64) RARBRARARARGRXRA
SCHEMBL18970150 0.74 RARA (0.58) RARBRARARARGRXRAIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO claimed
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
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-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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 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 RARB 4194/4885RARA 4373/4885RARG 4187/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 RARB 4278/4885RARA 4508/4885RARG 2466/4885

“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.