SCHEMBL15633641

SCHEMBL15633641

NC(=NO)c1ccc(CO)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.38
GAA P10253 2/20 0.37
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM1A O60341 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
DGAT1 O75907 1/20 0.33
KIF11 P52732 1/20 0.33
PLAU P00749 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TMPRSS15 P98073 1/20 0.32

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
SCHEMBL15633640 1.00 KLKB1 (0.38) KLKB1GAANOS3NOS1NOS2
SCHEMBL16080631 1.00 KLKB1 (0.38) KLKB1GAANOS3NOS1NOS2
SCHEMBL16489289 0.84 GAA (0.39) KLKB1GAAKDM1APLAU
SCHEMBL15705337 0.79 GAA (0.37) GAANOS3NOS1NOS2KDM1A
SCHEMBL15633480 0.79 GAA (0.37) GAANOS3NOS1NOS2KDM1A
SCHEMBL536634 0.79 GAA (0.40) GAANOS3NOS1NOS2PRSS1
SCHEMBL536635 0.79 GAA (0.40) GAANOS3NOS1NOS2PRSS1
SCHEMBL13447761 0.78 GAA (0.39) KLKB1GAAKDM1ADGAT1LMNA
SCHEMBL31413134 0.78 DGAT1 (0.56) CYP4F2CYP4A11DGAT1LMNA
SCHEMBL640268 0.77 CES2 (0.52) KLKB1GAAKDM1ADGAT1L3MBTL1

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-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US disclosed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
WO-2014055916-A1 SUBSTITUTED ARYL-1,2,4-OXADIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF INTERALIA OCULAR OR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2014-04-10 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 (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-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 KLKB1 2866/4885GAA 2263/4885NOS3 3154/4885
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 KLKB1 2866/4885GAA 2263/4885NOS3 3154/4885

“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.