SCHEMBL2224658

SCHEMBL2224658

CC1(C)CCCc2cc(-c3csc(N4CCNCC4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 3/20 0.46
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
CDC25A P30304 1/20 0.45
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
NPC1 O15118 6/20 0.40
MAPT P10636 3/20 0.40
AR P10275 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38

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 SCHEMBL12806056 0.99 BAZ2A (0.46) BAZ2APTPN1PTPN6CDC25ARAB9A
SCHEMBL2224201 0.87 PTPN1 (0.50) BAZ2APTPN1PTPN6CDC25ARAB9A
Bromide SCHEMBL12805085 0.85 PTPN1 (0.49) BAZ2APTPN1PTPN6CDC25ARAB9A
SCHEMBL2221987 0.85 PTPN1 (0.46) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL2223014 0.85 PTPN1 (0.47) BAZ2APTPN1PTPN6CDC25ARAB9A
Hydrochloric Acid SCHEMBL12805423 0.85 PTPN1 (0.45) PTPN1PTPN6CDC25ARAB9ASMN1; SMN2
SCHEMBL12632544 0.82 ASIC3 (0.45) ALDH1A1
SCHEMBL12937054 0.81 HTR2A (0.40)
SCHEMBL12516244 0.81 PTPN1 (0.40) PTPN1PTPN6CDC25ASMN1; SMN2MAPT
SCHEMBL2222937 0.80 PTPN1 (0.39) PTPN1PTPN6CDC25ASMN1; SMN2MAPT

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 BAZ2A 4835/4885PTPN1 1189/4885PTPN6 1363/4885

“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.