SCHEMBL2225503

SCHEMBL2225503

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCO)CC4)n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
CDC25A P30304 1/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL2224076 0.97 PTPN1 (0.41) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL2225002 0.96 PTPN1 (0.44) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12517375 0.93 PTPN1 (0.44) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12515985 0.92 PTPN1 (0.43) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12515992 0.92 PTPN1 (0.43) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12516258 0.92 PTPN1 (0.43) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12937761 0.90 L3MBTL1 (0.43) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL2222158 0.90 PTPN1 (0.46) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12517166 0.88 PTPN1 (0.41) PTPN1PTPN6CDC25ALMNAMAPT
SCHEMBL12517163 0.87 PTPN1 (0.41) PTPN1PTPN6CDC25ALMNAMAPT

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-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
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 PTPN1 1189/4885PTPN6 1363/4885CDC25A 816/4885

“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.