SCHEMBL6703753

SCHEMBL6703753

CC(C)(CNc1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 4/20 0.38
GHSR Q92847 1/20 0.38
TGM2 P21980 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 2/20 0.36
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALDH3A1 P30838 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8717449 0.88 MAPT (0.46) CA2CA9MAPTMEN1KMT2A
SCHEMBL6697703 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7508194 0.80 MAPT (0.61) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6701656 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9174239 0.80 MAPT (0.40) CA2MAPTSMN1; SMN2CA1ALDH1A1
SCHEMBL3420454 0.80 PTPRF (0.45) CA2CA9MAPTMEN1KMT2A
SCHEMBL6700261 0.78 GHSR (0.42) CA2CA9GHSRTGM2SMN1; SMN2
SCHEMBL1447189 0.77 ALDH1A1 (0.39) CA2CA9MAPTMEN1KMT2A
SCHEMBL6993608 0.77 MAPT (0.41) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11703236 0.77 HPGD (0.50) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 CA2 467/4885CA9 192/4885MAPT 3376/4885

“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.