SCHEMBL8499757

SCHEMBL8499757

NC(CO)(CO)CCc1ccc(OCCCCCCCOc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.54
TNNC1 P63316 5/20 0.54
S1PR3 Q99500 5/20 0.54
S1PR4 O95977 3/20 0.54
S1PR5 Q9H228 2/20 0.54
SGPL1 O95470 1/20 0.54
GPR183 P32249 1/20 0.54
CERS2 Q96G23 1/20 0.54
ALOX15 P16050 1/20 0.49
FFAR1 O14842 1/20 0.48
KCNA3 P22001 1/20 0.47

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
SCHEMBL8498934 1.00 S1PR1 (0.54) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496582 1.00 S1PR1 (0.54) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8498784 0.98 S1PR1 (0.53) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8498104 0.96 S1PR1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496393 0.96 S1PR1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8498823 0.96 S1PR1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6036013 0.95 S1PR1 (0.53) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496107 0.94 S1PR1 (0.58) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8497910 0.94 S1PR1 (0.58) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8499382 0.94 S1PR1 (0.58) S1PR1TNNC1S1PR3S1PR4S1PR5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP claimed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP claimed
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-2720690-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) 2014-04-23 EP disclosed
WO-2012174522-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) 2012-12-20 WO disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP 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-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 S1PR1 1/4885TNNC1 4794/4885S1PR3 3/4885

“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.