SCHEMBL1869291

SCHEMBL1869291

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 9/20 0.72
TGM2 P21980 9/20 0.72
TGM1 P22735 9/20 0.72
TGM3 Q08188 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.67
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CDK14 O94921 1/20 0.52
CCNY Q8ND76 1/20 0.52

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
SCHEMBL1868422 0.90 F13A1 (0.70) F13A1TGM2TGM1TGM3SMN1; SMN2
SCHEMBL1872793 0.88 F13A1 (0.77) F13A1TGM2TGM1SMN1; SMN2ALDH1A1
SCHEMBL1872963 0.88 F13A1 (0.80) F13A1TGM2TGM1TGM3SMN1; SMN2
SCHEMBL1874713 0.87 F13A1 (0.80) F13A1TGM2TGM1TGM3SMN1; SMN2
SCHEMBL1872126 0.85 TGM2 (0.75) F13A1TGM2TGM1TGM3ALDH1A1
SCHEMBL1870338 0.84 TGM2 (1.00) F13A1TGM2TGM1TGM3
SCHEMBL1867594 0.84 TGM2 (0.80) F13A1TGM2TGM1TGM3ALDH1A1
SCHEMBL1871756 0.84 F13A1 (0.77) F13A1TGM2TGM1TGM3SMN1; SMN2
SCHEMBL1869977 0.82 F13A1 (0.68) F13A1TGM2TGM1SMN1; SMN2ALDH1A1
SCHEMBL1869959 0.82 F13A1 (0.70) F13A1TGM2TGM1TGM3SMN1; 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 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.