SCHEMBL14263296

SCHEMBL14263296

C[C@](N)(CO)C(=O)Nc1ccc(Cc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.54
S1PR3 Q99500 10/20 0.54
S1PR4 O95977 6/20 0.54
S1PR5 Q9H228 6/20 0.54
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP17A1 P05093 1/20 0.45

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 0.93 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5HDAC1
SCHEMBL14263212 0.85 S1PR4 (0.52) S1PR1S1PR3S1PR4S1PR5HDAC1
SCHEMBL4984174 0.85 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5HDAC1
SCHEMBL4984163 0.85 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5HDAC1
SCHEMBL5358576 0.85 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5HDAC1
SCHEMBL4979834 0.85 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4979844 0.85 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4986210 0.85 SRC (0.45) HDAC1HDAC7HDAC8HDAC6MEN1
SCHEMBL4986196 0.85 SRC (0.45) HDAC1HDAC7HDAC8HDAC6MEN1
SCHEMBL14263230 0.85 S1PR4 (0.46) S1PR1S1PR3S1PR4S1PR5HDAC1

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-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

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 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.