Sugi Predict

Sugi Predict / Compounds / SCHEMBL2224845

SCHEMBL2224845

SCHEMBL2224845

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(NCCCO)C4)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.38
▸ CTSB P07858 3/20 0.38
▸ CTSS P25774 3/20 0.38
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ RAB9A P51151 7/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL2227536 0.97 CTSL (0.37) CTSLCTSBCTSSRARBRARG
SCHEMBL2223167 0.95 RAB9A (0.39) CTSLCTSBCTSSRARBRARG
SCHEMBL2223158 0.95 RAB9A (0.39) CTSLCTSBCTSSRARBRARG
SCHEMBL2225956 0.93 PTPN1 (0.39) CTSLCTSBCTSSRARBRARG
SCHEMBL12515999 0.92 RAB9A (0.38) CTSLCTSBCTSSRARBRARG
SCHEMBL2222974 0.90 PTPN1 (0.38) CTSLCTSBCTSSRARBRARG
SCHEMBL12516993 0.89 RAB9A (0.40) CTSLCTSBCTSSPTPN1PTPN6
SCHEMBL2226835 0.89 PTPN1 (0.41) CTSLCTSBCTSSRARBRARG
SCHEMBL2225352 0.88 PTPN1 (0.40) CTSLCTSBCTSSPTPN1PTPN6
SCHEMBL2223678 0.86 PTPN1 (0.41) CTSLCTSBCTSSRARBRARG

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 CTSL 2546/4885CTSB 2808/4885CTSS 1986/4885

“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.