SCHEMBL7607403

SCHEMBL7607403

CC(NSC(C[N+](=O)[O-])c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CPA1 P15085 4/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.38
ADAM17 P78536 1/20 0.38
MME P08473 2/20 0.38
HSP90AA1 P07900 2/20 0.38
MEN1 O00255 1/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7254921 0.78 NPSR1 (0.50) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL4725978 0.73 MAPK1 (0.66) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL1036342 0.73 MAPK1 (0.66) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL7606395 0.72 MAPT (0.52) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL7255199 0.71 NPSR1 (0.49) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL7608097 0.70 KDM4E (0.51) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL7607397 0.70 KDM4E (0.51) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL7254995 0.70 MAPT (0.45) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL27756710 0.70 CPA1 (0.49) NPSR1KDM4EMAPTMAPK1TDP1
SCHEMBL7256110 0.69 NPSR1 (0.47) NPSR1KDM4EMAPTMAPK1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds AMERICAN CYANAMID COMPANY 2002-08-01 US claimed

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-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds SULT1E1, SULT1A1, TST NPSR1 151/4885KDM4E 3215/4885MAPT 4666/4885

“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.