SCHEMBL2222685

SCHEMBL2222685

C[C@@H](O)[C@H](N)C(=O)N1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
HSD11B1 P28845 2/20 0.39
FAAH O00519 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RARG P13631 2/20 0.36
RXRA P19793 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL12937789 0.90 HSD11B1 (0.39) RARARARBHSD11B1CTSLCTSB
SCHEMBL12621000 0.88 CTSL (0.40) RARARARBHSD11B1FAAHCTSL
SCHEMBL12621009 0.88 CTSL (0.40) RARARARBHSD11B1FAAHCTSL
SCHEMBL12621006 0.86 SMN1; SMN2 (0.40) RARARARBHSD11B1FAAHCTSL
SCHEMBL12937210 0.86 HSD11B1 (0.39) RARARARBHSD11B1FAAHCTSL
SCHEMBL16612996 0.85 RARA (0.47) RARARARBHSD11B1FAAHCTSL
SCHEMBL12620996 0.85 RARA (0.45) RARARARBHSD11B1FAAHCTSL
SCHEMBL12621002 0.84 HSD11B1 (0.38) RARARARBHSD11B1FAAHCTSL
SCHEMBL12517324 0.84 SMN1; SMN2 (0.41) RARARARBHSD11B1FAAHCTSL
SCHEMBL12805695 0.83 CTSL (0.41) RARARARBHSD11B1FAAHCTSL

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 RARA 4508/4885RARB 4278/4885HSD11B1 1179/4885

“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.