SCHEMBL1878082

SCHEMBL1878082

Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.69
TGM1 P22735 10/20 0.69
F13A1 P00488 9/20 0.69
TGM3 Q08188 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1873451 0.85 TGM2 (0.65) TGM2TGM1F13A1TGM3MEN1
SCHEMBL1874491 0.82 TGM2 (1.00) TGM2TGM1F13A1TGM3
SCHEMBL4933317 0.80 NR1H2 (0.55) TGM2TGM1F13A1MEN1KMT2A
SCHEMBL1872113 0.80 TGM2 (0.67) TGM2TGM1F13A1TGM3MEN1
SCHEMBL31494283 0.77 TGM2 (0.52) TGM2TGM1F13A1TGM3MEN1
SCHEMBL27046568 0.77 TGM2 (0.52) TGM2TGM1F13A1TGM3MEN1
SCHEMBL27046571 0.76 TGM2 (0.50) TGM2TGM1F13A1TGM3MEN1
SCHEMBL10064223 0.75 TGM2 (0.70) TGM2TGM1F13A1TGM3MEN1
SCHEMBL31330799 0.75 HDAC1 (0.48) TGM2TGM1F13A1MEN1KMT2A
SCHEMBL932229 0.73 TGM2 (0.63) TGM2TGM1F13A1TGM3MEN1

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 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.