SCHEMBL26548006

SCHEMBL26548006

CN(C)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
VCAM1 P19320 8/20 0.67
HTT P42858 3/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 1/20 0.67
PKM P14618 1/20 0.67
KMT2A Q03164 1/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 4/20 0.58
GAA P10253 3/20 0.52
MITF O75030 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HIF1A Q16665 1/20 0.51
HPGD P15428 1/20 0.47
PTPN11 Q06124 1/20 0.44

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
SCHEMBL18894117 0.87 VCAM1 (0.62) ALDH1A1VCAM1HTTPOLBMEN1
SCHEMBL9978247 0.83 VCAM1 (0.58) ALDH1A1VCAM1HTTPOLBMEN1
SCHEMBL994159 0.81 ALDH1A1 (0.69) ALDH1A1VCAM1HTTPOLBMEN1
SCHEMBL29550525 0.81 VCAM1 (0.73) ALDH1A1VCAM1HTTMEN1PKM
SCHEMBL550564 0.81 VCAM1 (0.73) ALDH1A1VCAM1HTTMEN1PKM
SCHEMBL133996 0.80 VCAM1 (1.00) ALDH1A1VCAM1HTTMEN1KMT2A
SCHEMBL6417727 0.80 VCAM1 (1.00) ALDH1A1VCAM1HTTMEN1KMT2A
SCHEMBL29510874 0.80 VCAM1 (1.00) ALDH1A1VCAM1HTTMEN1KMT2A
SCHEMBL11651298 0.80 ALDH1A1 (0.67) ALDH1A1VCAM1HTTPOLBMEN1
SCHEMBL6215796 0.80 VCAM1 (1.00) ALDH1A1VCAM1HTTPOLBMEN1

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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 ALDH1A1 2743/4885VCAM1 1233/4885HTT 1195/4885

“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.