SCHEMBL2227435

SCHEMBL2227435

NC(=S)N1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
PDK1 Q15118 1/20 0.32
TSHR P16473 1/20 0.32
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
GRM5 P41594 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4091370 0.87 NOS2 (0.34) GPR119LMNAGAAMAPTL3MBTL1
SCHEMBL4523298 0.85
SCHEMBL14603071 0.77 PHGDH (0.58) GAAMAPTCA12CA1CA2
SCHEMBL4421353 0.76
SCHEMBL5997632 0.76 CA12 (0.44) LMNAMAPTCA12CA1CA2
SCHEMBL12474755 0.76 LMNA (0.42) GPR119LMNAGAAMAPTL3MBTL1
SCHEMBL9059677 0.74 F2 (0.52) GPR119GAADPP4
SCHEMBL2527566 0.74 F2 (0.52) GPR119GAADPP4
SCHEMBL4599189 0.74 DPP4 (0.38) GPR119GAAHTTDPP4DPP7
SCHEMBL4352131 0.73 MAPT (0.45) GPR119LMNAGAAMAPTL3MBTL1

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 12 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
CN-102639513-A Sphingosine kinase inhibitors MERCK PATENT GMBH 2012-08-15 CN disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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 (3 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 GPR119 2924/4885LMNA 4865/4885GAA 3102/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 GPR119 2924/4885LMNA 4865/4885GAA 3102/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 GPR119 149/4885LMNA 1378/4885GAA 1704/4885

“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.