SCHEMBL1872963

SCHEMBL1872963

C=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 12/20 0.80
TGM2 P21980 12/20 0.80
TGM1 P22735 12/20 0.80
TGM3 Q08188 1/20 0.67
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 1/20 0.50
CDK14 O94921 1/20 0.49
CCNY Q8ND76 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL1874713 0.97 F13A1 (0.80) F13A1TGM2TGM1TGM3KMT2A
SCHEMBL1868422 0.94 F13A1 (0.70) F13A1TGM2TGM1TGM3KMT2A
SCHEMBL1871092 0.89 F13A1 (1.00) F13A1TGM2TGM1KMT2A
SCHEMBL1869291 0.88 F13A1 (0.72) F13A1TGM2TGM1TGM3SMN1; SMN2
SCHEMBL1867063 0.86 F13A1 (1.00) F13A1TGM2TGM1KMT2A
SCHEMBL1867594 0.84 TGM2 (0.80) F13A1TGM2TGM1TGM3
SCHEMBL1865307 0.83 F13A1 (0.88) F13A1TGM2TGM1KMT2AMEN1
SCHEMBL1872126 0.82 TGM2 (0.75) F13A1TGM2TGM1TGM3KMT2A
SCHEMBL1870338 0.80 TGM2 (1.00) F13A1TGM2TGM1TGM3
SCHEMBL1871756 0.80 F13A1 (0.77) F13A1TGM2TGM1TGM3KMT2A

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 10 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

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 F13A1 1540/4885TGM2 2/4885TGM1 9/4885

“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.