SCHEMBL2223017

SCHEMBL2223017

CC1(C)CCC(C)(C)c2cc(-c3nsc(N4CCNCC4)n3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.39
RARA P10276 7/20 0.39
RARG P13631 7/20 0.38
RXRA P19793 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
FAAH O00519 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BAZ2A Q9UIF9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
UBE2N P61088 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 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
Hydrochloric Acid SCHEMBL12806350 0.99 RARB (0.38) RARBRARARARGRXRAABCB1
SCHEMBL2224201 0.80 PTPN1 (0.50) NPC1RAB9ABAZ2APOLBKMT2A
Bromide SCHEMBL12805085 0.79 PTPN1 (0.49) NPC1RAB9ABAZ2APOLBKMT2A
SCHEMBL12517325 0.79 RARB (0.38) RARBRARARARGRXRAABCB1
SCHEMBL12937460 0.78 NPC1 (0.47) FAAHNPC1RAB9A
SCHEMBL2226206 0.78 RARB (0.38) RARBRARARARGRXRAABCB1
SCHEMBL4483992 0.77 FAAH (0.51) FAAHNPC1RAB9A
SCHEMBL2224469 0.76 ALOX5AP (0.43) RARBRARARARGRXRAABCB1
SCHEMBL8515571 0.76 CYP1A2 (0.47) RARBRARARARGKDM4EALDH1A1
SCHEMBL2035508 0.76 HRH4 (0.43) RARBRARARARGRXRAKDM4E

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
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-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-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 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-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.