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SCHEMBL2225854

SCHEMBL2225854

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(C5CCN(CCO)CC5)CC4)n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CTSB P07858 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSL P07711 2/20 0.41
▸ SMN1; SMN2 Q16637 11/20 0.39
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ LMNA P02545 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL2222167 0.96 CTSB (0.42) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL2222158 0.90 PTPN1 (0.46) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL2224786 0.86 PTPN1 (0.44) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL2225727 0.86 CTSB (0.41) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL2225002 0.84 PTPN1 (0.44) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL2012653 0.84 RARB (0.43) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL2222551 0.84 PTPN1 (0.44) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL12517375 0.84 PTPN1 (0.44) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL12516258 0.83 PTPN1 (0.43) PTPN1PTPN6CDC25ACTSBCTSS
SCHEMBL12515992 0.83 PTPN1 (0.43) PTPN1PTPN6CDC25ACTSBCTSS

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.