SCHEMBL2053466

SCHEMBL2053466

CC1(C)CCC(C)(C)c2cc(-c3nc(N4CCNCC4)ccc3OCCO)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 8/20 0.43
RARB P10826 6/20 0.43
RARA P10276 5/20 0.43
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PRMT5 O14744 2/20 0.36
NTRK1 P04629 1/20 0.35
ALK Q9UM73 1/20 0.34
TNF P01375 1/20 0.34
PRKD3 O94806 1/20 0.34
EGFR P00533 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
LCK P06239 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
ZAP70 P43403 1/20 0.34
PRKCE Q02156 1/20 0.34

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
SCHEMBL2016286 0.86 ALK (0.42) RARGRARBRARAALKTNF
SCHEMBL12632538 0.84 HPGD (0.40) RARGRARBRARAPRMT5TNF
SCHEMBL2016394 0.84 RARG (0.45) RARGRARBRARA
SCHEMBL12632960 0.80 RARA (0.43) RARGRARBRARA
SCHEMBL2015010 0.79 RARG (0.43) RARGRARBRARA
SCHEMBL12632931 0.78 RARG (0.42) RARGRARBRARA
SCHEMBL12959455 0.76 RARG (0.40) RARGRARBRARATNF
SCHEMBL2012573 0.75 RARA (0.40) RARGRARBRARATNF
SCHEMBL12633230 0.75 RARB (0.39) RARGRARBRARAALKFLT3
SCHEMBL2015583 0.74 HTR1A (0.44) RARGRARBRARA

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 9 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

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 RARG 4187/4885RARB 4194/4885RARA 4373/4885

“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.