SCHEMBL4869129

SCHEMBL4869129

NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 5/20 0.46
ACHE P22303 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GRM6 O15303 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
RECQL P46063 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK2 Q13002 1/20 0.40

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
SCHEMBL25176008 0.90 KMT2A (0.39) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL4799474 0.79 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1725391 0.76 KMT2A (0.49) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL25176118 0.75 CHEK1 (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL4367865 0.75 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL214934 0.74 CYP19A1 (0.58) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL30267663 0.74 CYP19A1 (0.58) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL4875174 0.73 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7177937 0.73 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28236653 0.73 KMT2A (0.46) KMT2AMEN1ACHEALDH1A1MAPT

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-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 EP disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 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 (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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KMT2A 860/4885MEN1 4380/4885ACHE 915/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KMT2A 860/4885MEN1 4380/4885ACHE 915/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KMT2A 860/4885MEN1 4380/4885ACHE 915/4885

“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.