SCHEMBL15633480

SCHEMBL15633480

NC(=NO)c1ccc(CO)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
NOS2 P35228 2/20 0.33
PLAU P00749 1/20 0.33
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 1/20 0.32
KDM1A O60341 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL15705337 1.00 GAA (0.37) GAANOS3NOS1PRSS1PRSS2
SCHEMBL536635 0.79 GAA (0.40) GAANOS3NOS1PRSS1PRSS2
SCHEMBL15633641 0.79 KLKB1 (0.38) GAANOS3NOS1PRSS1PRSS2
SCHEMBL15633640 0.79 KLKB1 (0.38) GAANOS3NOS1PRSS1PRSS2
SCHEMBL16080631 0.79 KLKB1 (0.38) GAANOS3NOS1PRSS1PRSS2
SCHEMBL536634 0.79 GAA (0.40) GAANOS3NOS1PRSS1PRSS2
SCHEMBL3663320 0.72 PTPN1 (0.47) CA2CA12CA1CA4CA6
SCHEMBL20857707 0.70 MAOB (0.43) ALOX15RAB9A
SCHEMBL28660034 0.70 TTR (0.41) GAACA2CA12CA1CA4
SCHEMBL1045835 0.69 CA2 (0.38) PRSS1PRSS2PRSS3CA2CA12

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-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

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-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 GAA 2263/4885NOS3 3154/4885NOS1 3607/4885

“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.