SCHEMBL1874183

SCHEMBL1874183

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 15/20 0.59
TGM2 P21980 15/20 0.59
TGM1 P22735 15/20 0.59
TGM3 Q08188 2/20 0.59
NPC1 O15118 1/20 0.57
GALR3 O60755 1/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PIP4K2A P48426 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
SCHEMBL6901841 0.85 F13A1 (0.59) F13A1TGM2TGM1TGM3
SCHEMBL6900651 0.82 MEN1 (0.48) F13A1TGM2TGM1TGM3NPC1
SCHEMBL1869787 0.81 F13A1 (0.67) F13A1TGM2TGM1TGM3
SCHEMBL13431592 0.79 SMN1; SMN2 (0.67) NPC1GALR3GAAPKMHTT
SCHEMBL1871768 0.77 F13A1 (0.69) F13A1TGM2TGM1TGM3
SCHEMBL1866269 0.76 F13A1 (0.66) F13A1TGM2TGM1TGM3
SCHEMBL1871762 0.75 F13A1 (0.78) F13A1TGM2TGM1TGM3SMN1; SMN2
SCHEMBL1869036 0.75 F13A1 (1.00) F13A1TGM2TGM1TGM3
SCHEMBL1874408 0.73 F13A1 (1.00) F13A1TGM2TGM1TGM3
SCHEMBL1869912 0.73 F13A1 (1.00) F13A1TGM2TGM1TGM3

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 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.