SCHEMBL2224786

SCHEMBL2224786

CN1CCN(C2CCN(c3nc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cs3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
CDC25A P30304 1/20 0.44
RAB9A P51151 11/20 0.43
SMN1; SMN2 Q16637 11/20 0.43
NPC1 O15118 9/20 0.43
MAPT P10636 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL2224704 0.89 AR (0.51) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL12517116 0.89 PTPN1 (0.44) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2222167 0.88 CTSB (0.42) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2222551 0.87 PTPN1 (0.44) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2225854 0.86 PTPN1 (0.41) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2222295 0.85 PTPN1 (0.45) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2225845 0.85 PTPN1 (0.49) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2226342 0.84 PTPN1 (0.51) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL12805369 0.83 CTSL (0.43) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL12806085 0.83 PTPN1 (0.50) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2

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.