SCHEMBL14263204

SCHEMBL14263204

C[C@](N)(CO)C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 5/20 0.57
▸ PDK2 Q15119 5/20 0.57
▸ PDK3 Q15120 5/20 0.57
▸ PDK4 Q16654 5/20 0.57
▸ MMP8 P22894 1/20 0.54
▸ S1PR4 O95977 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46

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
SCHEMBL14263246 0.90 S1PR1 (0.58) PDK1PDK2PDK3PDK4S1PR4
SCHEMBL14263188 0.86 PDK1 (0.64) PDK1PDK2PDK3PDK4S1PR4
SCHEMBL11039994 0.84 L3MBTL1 (0.50) PDK1PDK2PDK3PDK4S1PR1
SCHEMBL14263296 0.84 S1PR1 (0.54) S1PR4S1PR1S1PR3S1PR5HDAC1
SCHEMBL28927912 0.83 MMP8 (0.63) PDK1PDK2PDK3PDK4MMP8
SCHEMBL4984163 0.83 S1PR1 (0.71) PDK1PDK2PDK3PDK4S1PR4
SCHEMBL4984174 0.83 S1PR1 (0.71) PDK1PDK2PDK3PDK4S1PR4
SCHEMBL14263212 0.83 S1PR4 (0.52) S1PR4S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL5358576 0.83 S1PR1 (0.71) PDK1PDK2PDK3PDK4S1PR4
SCHEMBL3295838 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4MMP8

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 1 patent. 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

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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 PDK1 1262/4885PDK2 2197/4885PDK3 2350/4885

“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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