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Sugi Predict / Compounds / SCHEMBL2223014

SCHEMBL2223014

SCHEMBL2223014

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCNCC4)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ BAZ2A Q9UIF9 3/20 0.45
▸ AR P10275 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ TLR8 Q9NR97 1/20 0.41

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
SCHEMBL2224201 0.95 PTPN1 (0.50) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Bromide SCHEMBL12805085 0.94 PTPN1 (0.49) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12516991 0.87 PTPN1 (0.49) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Trifluoroacetic Acid SCHEMBL2223859 0.86 RAB9A (0.47) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12517116 0.85 PTPN1 (0.44) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2224658 0.85 BAZ2A (0.46) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12516227 0.85 PTPN1 (0.45) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Bromide SCHEMBL12806056 0.84 BAZ2A (0.46) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2222551 0.83 PTPN1 (0.44) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12937774 0.81 PTPN1 (0.50) 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 8 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

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.