SCHEMBL1869601

SCHEMBL1869601

COC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
MAPT P10636 2/20 0.67
EPHX2 P34913 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 1/20 0.54
VCAM1 P19320 1/20 0.54
LMNA P02545 2/20 0.53

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
SCHEMBL1869040 0.84 EPHX2 (0.66) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL29145909 0.84 PKM (0.78) PKMEPHX2ALDH1A1L3MBTL1KMT2A
SCHEMBL29451459 0.83 EPHX2 (0.70) PKMMAPTEPHX2SMN1; SMN2ALDH1A1
SCHEMBL1299133 0.83 PKM (0.76) PKMMAPTHTTALDH1A1L3MBTL1
SCHEMBL1867988 0.83 EPHX2 (0.65) MAPTEPHX2SMN1; SMN2HTTRECQL
SCHEMBL12101129 0.82 PKM (0.75) PKMMAPTEPHX2SMN1; SMN2ALDH1A1
SCHEMBL16912996 0.82 EPHX2 (0.63) MAPTEPHX2SMN1; SMN2HTTRECQL
SCHEMBL31285233 0.82 SMN1; SMN2 (0.52) PKMMAPTEPHX2SMN1; SMN2HTT
SCHEMBL1866862 0.82 EPHX2 (0.61) MAPTEPHX2SMN1; SMN2HTTRECQL
SCHEMBL596038 0.80 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO 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-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN PKM 1716/4885MAPT 31/4885EPHX2 2046/4885

“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.