Sugi Predict

Sugi Predict / Compounds / SCHEMBL2225816

SCHEMBL2225816

SCHEMBL2225816

CC1(C)CC(C)(C)c2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 13/20 0.42
▸ RAB9A P51151 10/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ MAPT P10636 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 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
SCHEMBL2223866 0.94 PTPN1 (0.42) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2225352 0.91 PTPN1 (0.40) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL12516993 0.89 RAB9A (0.40) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2226835 0.89 PTPN1 (0.41) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2223678 0.88 PTPN1 (0.41) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2284199 0.87 PTPN1 (0.40) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2223947 0.87 PTPN1 (0.40) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL12515980 0.87 PTPN1 (0.40) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2223192 0.87 PTPN1 (0.41) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL2223928 0.85 PTPN1 (0.39) SMN1; SMN2RAB9ANPC1MAPTPTPN1

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 SMN1; SMN2 613/4885RAB9A 1129/4885NPC1 818/4885

“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.