SCHEMBL15633481

SCHEMBL15633481

N=C(NO)c1ccc(CO)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PLAU P00749 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC2 Q92769 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL15633642 0.80 KIF11 (0.37) PRSS1PRSS2PRSS3RECQLHDAC8
SCHEMBL536636 0.80 PRSS1 (0.37) PRSS1PRSS2PRSS3RECQLPLAU
SCHEMBL3663320 0.73 PTPN1 (0.47) HPGDKMT2A
SCHEMBL20857707 0.72 MAOB (0.43) HPGDKMT2A
SCHEMBL2770254 0.71 CA12 (0.51) HPGDKMT2A
SCHEMBL29875658 0.71 CA2 (0.38) PRSS1PRSS2PRSS3RECQLPRKCI
SCHEMBL1045835 0.71 CA2 (0.38) PRSS1PRSS2PRSS3RECQLPRKCI
SCHEMBL320863 0.70 PRSS1 (0.56) PRSS1PRSS2PRSS3HPGDPLAU
SCHEMBL15705337 0.69 GAA (0.37) PRSS1PRSS2PRSS3PLAUHDAC8
SCHEMBL15633480 0.69 GAA (0.37) PRSS1PRSS2PRSS3PLAUHDAC8

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 PRSS1 2041/4885PRSS2 3823/4885PRSS3 3272/4885

“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.