SCHEMBL1872126

SCHEMBL1872126

C=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.75
TGM1 P22735 14/20 0.75
F13A1 P00488 13/20 0.75
TGM3 Q08188 1/20 0.75
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
CNR1 P21554 1/20 0.57
PKM P14618 1/20 0.55
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 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
SCHEMBL1867594 0.90 TGM2 (0.80) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL1875581 0.89 TGM2 (0.81) TGM2TGM1F13A1GAAPKM
SCHEMBL1870338 0.86 TGM2 (1.00) TGM2TGM1F13A1TGM3
SCHEMBL1869291 0.85 F13A1 (0.72) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL1869959 0.84 F13A1 (0.70) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL1868422 0.84 F13A1 (0.70) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL1873046 0.82 TGM2 (0.78) TGM2TGM1F13A1TGM3GAA
SCHEMBL1872963 0.82 F13A1 (0.80) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL1869996 0.82 F13A1 (0.75) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL1871756 0.82 F13A1 (0.77) TGM2TGM1F13A1TGM3KMT2A

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 11 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 claimed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US claimed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO claimed
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 TGM2 2/4885TGM1 9/4885F13A1 1540/4885

“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.