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Sugi Predict / Compounds / SCHEMBL2226086

SCHEMBL2226086

SCHEMBL2226086

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCOCCO)CC4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ LMNA P02545 8/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 3/20 0.40

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
SCHEMBL2225002 0.90 PTPN1 (0.44) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL2222158 0.90 PTPN1 (0.46) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL12517375 0.89 PTPN1 (0.44) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL12516258 0.88 PTPN1 (0.43) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL12515992 0.88 PTPN1 (0.43) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL12515985 0.88 PTPN1 (0.43) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL2225503 0.86 PTPN1 (0.42) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL2224076 0.86 PTPN1 (0.41) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL2222421 0.85 PTPN1 (0.42) MAPTLMNAALDH1A1HPGDHSD17B10
SCHEMBL12517166 0.84 PTPN1 (0.41) MAPTLMNAALDH1A1HPGDHSD17B10

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 MAPT 324/4885LMNA 1378/4885ALDH1A1 4560/4885

“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.