SCHEMBL14055643

SCHEMBL14055643

NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
EPHX2 P34913 1/20 0.56
ACHE P22303 1/20 0.52
HSD11B1 P28845 1/20 0.51
PARL Q9H300 1/20 0.50
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL16912986 0.89 SMN1; SMN2 (0.64) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL1519692 0.85 ALDH1A1 (0.69) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL16912996 0.84 EPHX2 (0.63) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL854322 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL30005295 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL23271159 0.84 LMNA (0.72) SMN1; SMN2HTTALDH1A1LMNAEPHX2
SCHEMBL7130169 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL7133340 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL21681941 0.82 ALDH1A1 (0.74) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL7485956 0.82 ALDH1A1 (0.79) SMN1; SMN2HTTRECQLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 US disclosed
US-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 US disclosed
US-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 US disclosed
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 US disclosed
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 US disclosed
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 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-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN SMN1; SMN2 216/4885HTT 1/4885RECQL 2322/4885

“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.