SCHEMBL13711948

SCHEMBL13711948

N#[N+]c1ccc(CS(=O)(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TASP1 Q9H6P5 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ PRTN3 P24158 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
SCHEMBL8474031 0.82 CA2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL4371994 0.73 ABAT (0.50) CA1CA2ALDH1A1TP53HPGD
SCHEMBL259654 0.73 CA2 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL8752809 0.71 CA1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL776965 0.71 LOXL2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL24407431 0.71 IDO1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL3126969 0.71 CA1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL1309214 0.71 CA2 (0.50) CA2ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL937040 0.71 LMNA (0.52) CA1CA2ALDH1A1CYP2C9HPGD
SCHEMBL4227479 0.71 LMNA (0.52) CA1CA2ALDH1A1TP53CYP2C9

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-20090232724-A1 METHOD OF SEPARATING METALLIC AND SEMICONDUCTING CARBON NANOTUBES FROM A MIXTURE OF SAME INTERNATIONAL BUSINESS MACHINES CORPORATION 2009-09-17 — — 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-20090232724-A1 METHOD OF SEPARATING METALLIC AND SEMICONDUCTING CARBON NANOTUBES FROM A MIXTURE OF SAME SOD1, AS3MT, TTN CA1 272/4885CA2 131/4885MMP1 2339/4885

“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.

Send feedback