SCHEMBL2014163

SCHEMBL2014163

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC(=O)O)CC4)n3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.51
RARA P10276 4/20 0.51
RARG P13631 6/20 0.41
CNR1 P21554 8/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
RXRA P19793 2/20 0.38
CCNT1 O60563 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL12632558 0.91 RARB (0.47) RARBRARARARGCNR1CCNT1
SCHEMBL12804442 0.91 RARB (0.49) RARBRARARARGCNR1ITGB3
SCHEMBL12632562 0.89 RARB (0.48) RARBRARARARGCNR1ITGB3
SCHEMBL2015227 0.88 RARB (0.47) RARBRARARARGCNR1ITGB3
Dimethylamine SCHEMBL15226184 0.87 RARB (0.46) RARBRARARARGCNR1ITGB3
SCHEMBL12632966 0.86 RARB (0.45) RARBRARARARGCNR1RXRA
SCHEMBL2053040 0.85 RARB (0.43) RARBRARARARGCNR1RXRA
SCHEMBL12804988 0.84 RARB (0.45) RARBRARARARGCNR1FFAR4
SCHEMBL12632546 0.84 RARB (0.57) RARBRARARARGCNR1RXRA
SCHEMBL2223436 0.84 SMN1; SMN2 (0.45) RARBRARA

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 RARB 4194/4885RARA 4373/4885RARG 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.