SCHEMBL2944954

SCHEMBL2944954

CCCCCCCCOc1ccc(-c2noc([C@@](C)(N)COP(=O)(O)O)n2)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 16/20 0.67
▸ S1PR4 O95977 8/20 0.67
▸ S1PR5 Q9H228 8/20 0.67
▸ SPHK2 Q9NRA0 3/20 0.54
▸ S1PR3 Q99500 5/20 0.54

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
SCHEMBL2944964 1.00 S1PR1 (0.67) S1PR1S1PR4S1PR5SPHK2S1PR3
SCHEMBL2952610 0.88 SPHK2 (0.56) S1PR1S1PR4S1PR5SPHK2
SCHEMBL2952609 0.88 SPHK2 (0.56) S1PR1S1PR4S1PR5SPHK2
SCHEMBL27775311 0.85 SPHK2 (0.55) S1PR1S1PR4S1PR5SPHK2
SCHEMBL2952707 0.84 S1PR1 (0.71) S1PR1S1PR4S1PR5SPHK2S1PR3
SCHEMBL2952698 0.84 S1PR1 (0.71) S1PR1S1PR4S1PR5SPHK2S1PR3
SCHEMBL2956551 0.84 S1PR1 (0.68) S1PR1S1PR4S1PR5SPHK2S1PR3
SCHEMBL2956555 0.84 S1PR1 (0.68) S1PR1S1PR4S1PR5SPHK2S1PR3
SCHEMBL14456396 0.81 S1PR1 (0.69) S1PR1S1PR4S1PR5SPHK2S1PR3
SCHEMBL2956971 0.80 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 — — US disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 — — US disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 — — US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 — — US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 — — US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 — — US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 — — US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 — — US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 — — US disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 — — 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 (2 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-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR4 5/4885S1PR5 3/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 S1PR1 12/4885S1PR4 76/4885S1PR5 28/4885

“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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