SCHEMBL1900812

SCHEMBL1900812

CCCCCCCCCCCCCCCCC(O)C(N)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 1.00
▸ SPHK1 Q9NYA1 4/20 1.00
▸ LMNA P02545 4/20 1.00
▸ MAPT P10636 4/20 1.00
▸ GMNN O75496 3/20 1.00
▸ POLB P06746 3/20 1.00
▸ BLM P54132 3/20 1.00
▸ CETP P11597 3/20 1.00
▸ UBE2N P61088 3/20 1.00
▸ THPO P40225 2/20 1.00
▸ TP53 P04637 2/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ MTOR P42345 1/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ HTT P42858 1/20 1.00
▸ CSNK1E P49674 1/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ GLA P06280 2/20 0.50

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
Safingol SCHEMBL5061324 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
Dihydrospingosine SCHEMBL12563458 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
Safingol SCHEMBL6772 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL1131930 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL16455713 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL12330738 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL1131985 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL21660227 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL21431064 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL18127645 1.00 CYP2D6 (1.00) CYP2D6SPHK1LMNAMAPTGMNN

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-20190117590-A1 Compositions and Methods for Treating Hyperproliferative Disorders TEXAS TECH UNIVERSITY SYSTEM 2019-04-25 — — US disclosed
EP-2669267-B1 Compositions and methods for treating hyperproliferative disorders TEXAS TECH UNIV (US) 2018-01-10 — — EP disclosed
US-9763980-B2 Combined chemical modification of sphingosine-1-phosphate (S1P) and CXCR4 signalling pathways for hematopoietic stem cell (HSC) mobilization and engraftment CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-19 — — US disclosed
US-20140193376-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-07-10 — — US disclosed
EP-2669267-A1 Compositions and methods for treating hyperproliferative disorders TEXAS TECH UNIVERSITY (US) 2013-12-04 — — EP disclosed
US-20130217691-A1 Compositions and Methods for Treating Hyperproliferative Disorders TEXAS TECH UNIVERSITY SYSTEM (US) 2013-08-22 — — US disclosed
EP-2501672-A2 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS TEXAS TECH UNIVERSITY (US) 2012-09-26 — — EP disclosed
US-20110152267-A1 Compositions and Methods for Treating Hyperproliferative Disorders TEXAS TECH UNIVERSITY SYSTEM 2011-06-23 — — US disclosed
WO-2011060332-A2 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS TEXAS TECH UNIVERSITY (US) 2011-05-19 — — 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 (4 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-20190117590-A1 Compositions and Methods for Treating Hyperproliferative Disorders SGMS1, S1PR1, SPHK1 CYP2D6 4551/4885SPHK1 3/4885LMNA 1618/4885
US-20140193376-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT S1PR1, S1PR4, S1PR3 CYP2D6 4600/4885SPHK1 7/4885LMNA 3889/4885
US-20110152267-A1 Compositions and Methods for Treating Hyperproliferative Disorders SGMS1, S1PR1, SPHK1 CYP2D6 4551/4885SPHK1 3/4885LMNA 1618/4885
US-20130217691-A1 Compositions and Methods for Treating Hyperproliferative Disorders SGMS1, S1PR1, SPHK1 CYP2D6 4551/4885SPHK1 3/4885LMNA 1618/4885

“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.

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