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Sugi Predict / Compounds / SCHEMBL4983181

SCHEMBL4983181

SCHEMBL4983181

COc1ccc(-c2ccc(Oc3ccc(NC(=O)C(C)(N)CO)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.58
▸ S1PR3 Q99500 4/20 0.58
▸ S1PR4 O95977 3/20 0.58
▸ S1PR5 Q9H228 3/20 0.58
▸ PDK1 Q15118 2/20 0.53
▸ PDK2 Q15119 2/20 0.53
▸ PDK3 Q15120 2/20 0.53
▸ PDK4 Q16654 2/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PNLIP P16233 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ RAF1 P04049 1/20 0.44

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
SCHEMBL4983172 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL14263163 0.96 PDK1 (0.57) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4984163 0.90 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL5358576 0.90 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4984174 0.90 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4981394 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL5356124 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4986270 0.86 MTNR1B (0.62) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL14263288 0.86 S1PR4 (0.55) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4986253 0.86 MTNR1B (0.62) S1PR1S1PR3S1PR4S1PR5PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 — — US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 — — US disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 — — US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 — — 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 (3 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885

“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.