SCHEMBL3179554

SCHEMBL3179554

C[C@](N)(CO)c1ncc(-c2ccc(OCCCCOc3ccccc3)c(C(F)(F)F)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.61
▸ S1PR4 O95977 4/20 0.61
▸ S1PR5 Q9H228 4/20 0.61
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ AAK1 Q2M2I8 9/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL3179569 1.00 S1PR1 (0.61) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL13527548 0.91 S1PR1 (0.60) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL13527550 0.91 S1PR1 (0.57) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL2946813 0.89 S1PR1 (0.60) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL2946810 0.89 S1PR1 (0.60) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL2952716 0.88 S1PR1 (0.76) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL2952713 0.88 S1PR1 (0.76) S1PR1S1PR4S1PR5CTSSCTSK
SCHEMBL3176814 0.87 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3176770 0.87 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3173362 0.85 S1PR1 (0.62) S1PR1S1PR4S1PR5CTSSCTSK

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-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 — — US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 — — US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 — — US disclosed
EP-2046766-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) Praecis Pharmaceuticals Incorporated (US) 2009-04-15 — — EP disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 — — WO disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) 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-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR4 5/4885S1PR5 3/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR4 5/4885S1PR5 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.

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