SCHEMBL6901234

SCHEMBL6901234

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 19/20 0.70
TGM2 P21980 19/20 0.70
TGM1 P22735 19/20 0.70
TGM6 O95932 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL1876658 0.89 F13A1 (0.72) F13A1TGM2TGM1TGM6
SCHEMBL1868994 0.88 F13A1 (0.74) F13A1TGM2TGM1TGM6
SCHEMBL1867202 0.86 F13A1 (0.68) F13A1TGM2TGM1TGM6KMT2A
SCHEMBL1871561 0.85 TGM2 (0.70) F13A1TGM2TGM1TGM6
SCHEMBL1870459 0.85 POLB (0.67) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL6902967 0.85 F13A1 (0.83) F13A1TGM2TGM1
SCHEMBL1872968 0.85 F13A1 (0.66) F13A1TGM2TGM1TGM6
SCHEMBL1876131 0.84 F13A1 (0.82) F13A1TGM2TGM1
SCHEMBL1870961 0.83 F13A1 (0.70) F13A1TGM2TGM1TGM6
SCHEMBL14925230 0.82 F13A1 (0.76) F13A1TGM2TGM1TGM6

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 5 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
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
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.