SCHEMBL1949370

SCHEMBL1949370

CC(C)(C)OC(=O)c1cccc(S(=O)(=O)N[N+](C)(C(=O)[O-])C2CCCCC2)c1S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
YAP1 P46937 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
SCHEMBL1925708 0.82 CA1 (0.35) STSCA12CA1CA2CA9
SCHEMBL1926037 0.65 KDM4E (0.41) CA1CA2CA9ALDH1A1
SCHEMBL1952013 0.64 BCAT2 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL1951667 0.64 MMP13 (0.33)
SCHEMBL1950033 0.64 ADRA1A (0.31)
SCHEMBL1951093 0.64 MMP13 (0.33)
SCHEMBL1925365 0.63 ALOX15 (0.35) STSCA12CA1CA2CA9
SCHEMBL1926284 0.62 ALOX15 (0.33) STSNR1H2NR1H3CA12CA1
SCHEMBL21891517 0.58 SLC6A2 (0.48) ALDH1A1
SCHEMBL109178 0.58 TSHR (0.50) CA1CA2CA9ALDH1A1

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-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 STS 2253/4885NR1H2 237/4885NR1H3 214/4885

“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.