SCHEMBL3169901

SCHEMBL3169901

CCCOCCCCOc1ccc(-c2nnc(C(C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 17/20 0.87
▸ S1PR4 O95977 12/20 0.87
▸ S1PR5 Q9H228 12/20 0.87
▸ S1PR3 Q99500 9/20 0.49
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 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
SCHEMBL3169863 1.00 S1PR1 (0.87) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL13527536 0.99 S1PR1 (0.89) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL13527543 0.99 S1PR1 (0.89) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL3173278 0.95 S1PR1 (0.90) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3173252 0.95 S1PR1 (0.90) S1PR1S1PR4S1PR5S1PR3
SCHEMBL13527440 0.95 S1PR1 (0.87) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL13527483 0.93 S1PR1 (0.87) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL13527764 0.93 S1PR1 (0.87) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL13527542 0.93 S1PR1 (0.87) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL2953362 0.93 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 2 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-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US 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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