SCHEMBL2226342

SCHEMBL2226342

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
CDC25A P30304 1/20 0.51
SMN1; SMN2 Q16637 13/20 0.47
RAB9A P51151 11/20 0.47
NPC1 O15118 9/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43

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 SCHEMBL12806085 0.99 PTPN1 (0.50) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Bromide SCHEMBL12805772 0.99 PTPN1 (0.50) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2223877 0.94 CTSL (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2222099 0.94 CTSL (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2222107 0.94 CTSL (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12937251 0.93 PTPN1 (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2222295 0.90 PTPN1 (0.45) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2225845 0.89 PTPN1 (0.49) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12515933 0.89 PTPN1 (0.47) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL2224216 0.88 PTPN1 (0.47) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A

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.