SCHEMBL4981592

SCHEMBL4981592

O=C(O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.57
S1PR1 P21453 1/20 0.57
S1PR3 Q99500 1/20 0.57
S1PR5 Q9H228 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 1/20 0.56
FFAR1 O14842 4/20 0.54
FFAR4 Q5NUL3 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
HIF1A Q16665 1/20 0.53
MMP12 P39900 1/20 0.53
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL24599291 0.87 FFAR1 (0.69) FFAR1SMN1; SMN2RAB9ALMNACYP1A2
SCHEMBL657122 0.84 FFAR1 (0.69) FFAR1FFAR4SMN1; SMN2RAB9ALMNA
SCHEMBL14263314 0.82 S1PR4 (0.60) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL14457083 0.81 SPHK1 (0.57) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL4980102 0.80 S1PR1 (0.73) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL4980091 0.80 S1PR1 (0.73) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL656028 0.80 FFAR1 (0.59) MEN1KMT2AFFAR1SMN1; SMN2RAB9A
SCHEMBL14456414 0.79 S1PR4 (0.52) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL7999877 0.79 NPC1 (0.62) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL6621497 0.79 PTPN1 (0.69) MEN1KMT2ASMN1; SMN2RAB9AHPGD

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 6 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
EP-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 EP 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
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 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 (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 S1PR4 5/4885S1PR1 1/4885S1PR3 3/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR4 5/4885S1PR1 1/4885S1PR3 3/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR4 5/4885S1PR1 1/4885S1PR3 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.