SCHEMBL2222248

SCHEMBL2222248

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)NCCO)CC4)n3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.48
RAB9A P51151 11/20 0.48
NPC1 O15118 9/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ENPP2 Q13822 1/20 0.43
PRKD1 Q15139 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
SCHEMBL2225131 0.90 KMT2A (0.45) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2223866 0.85 PTPN1 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2223131 0.85 MAPT (0.45) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2225569 0.85 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL12805900 0.84 PTPN1 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL12937598 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2225352 0.82 PTPN1 (0.40) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL12516993 0.81 RAB9A (0.40) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2225223 0.81 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2226835 0.81 PTPN1 (0.41) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 6 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-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.