SCHEMBL6154827

SCHEMBL6154827

O=C(CN(S)C(=O)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
HTT P42858 2/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.47
DDX3X O00571 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL25822192 0.79 KMT2A (0.76) TRPV1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL6154823 0.77 ALDH1A1 (0.59) TRPV1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL16430901 0.74 MEN1 (0.81) KMT2AMEN1CYP1A2CYP2C9HTT
SCHEMBL6155499 0.72 MAPT (0.76) TRPV1KMT2AMEN1HTTHPGD
SCHEMBL4956741 0.71 CYP1A2 (0.56) TRPV1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL11335490 0.70 CES2 (0.64) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL10943066 0.69 KMT2A (0.94) KMT2AMEN1CYP1A2CYP2C9HTT
SCHEMBL8674119 0.69 TP53 (0.81) KMT2AMEN1HTTPOLBMAPT
SCHEMBL2798238 0.69 KMT2A (0.66) KMT2AMEN1CYP1A2CYP2C9HTT
SCHEMBL29703169 0.68 CES2 (0.66) KMT2AMEN1HTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP TRPV1 3569/4885KMT2A 875/4885MEN1 4329/4885

“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.