SCHEMBL1549933

SCHEMBL1549933

CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCNCC4)n3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
RARA P10276 4/20 0.42
RARB P10826 4/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 2/20 0.41
BAZ2A Q9UIF9 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RARG P13631 3/20 0.38
RXRA P19793 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
QPCT Q16769 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLAT P00750 1/20 0.36

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
Bromide SCHEMBL1801727 0.99 HPGDS (0.50) HPGDSRARARARBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1802873 0.99 HPGDS (0.50) HPGDSRARARARBALDH1A1SMN1; SMN2
SCHEMBL12620715 0.94 HPGDS (0.52) HPGDSRARARARBALDH1A1SMN1; SMN2
SCHEMBL2221943 0.93 HPGDS (0.44) HPGDSRARARARBALDH1A1SMN1; SMN2
SCHEMBL12620697 0.87 HPGDS (0.46) HPGDSALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL2225122 0.86 BAZ2A (0.43) HPGDSRARARARBALDH1A1SMN1; SMN2
SCHEMBL12620694 0.86 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL2354694 0.85 RARA (0.42) HPGDSRARARARBALDH1A1SMN1; SMN2
Bromide SCHEMBL12805678 0.85 BAZ2A (0.43) HPGDSRARARARBALDH1A1SMN1; SMN2
SCHEMBL12517367 0.85 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2L3MBTL1GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313403-B1 THIAZOLYL PIPERDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-08 EP claimed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US claimed
EP-2313403-B1 THIAZOLYL PIPERDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-08 EP 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
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 US disclosed
US-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 US disclosed
US-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 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
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
EP-2313403-A2 THIAZOLYL PIPERDINE DERIVATIVES Merck Patent GmbH (DE) 2011-04-27 EP disclosed
WO-2009156041-A2 THIAZOLYL PIPERDINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-30 WO disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP 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-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES SPHK1, S1PR1, SPHK2 HPGDS 1318/4885RARA 1348/4885RARB 1233/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 HPGDS 1424/4885RARA 4508/4885RARB 4278/4885

“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.