SCHEMBL6902967

SCHEMBL6902967

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 12/20 0.83
TGM2 P21980 12/20 0.83
TGM1 P22735 12/20 0.83
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL1876131 0.99 F13A1 (0.82) F13A1TGM2TGM1NPC1RAB9A
SCHEMBL1875807 0.91 TGM2 (1.00) F13A1TGM2TGM1ALDH1A1
SCHEMBL1873943 0.91 TGM2 (1.00) F13A1TGM2TGM1
SCHEMBL1871396 0.90 F13A1 (0.78) F13A1TGM2TGM1
SCHEMBL1873911 0.87 F13A1 (0.73) F13A1TGM2TGM1
SCHEMBL1866350 0.87 F13A1 (0.74) F13A1TGM2TGM1ALDH1A1SMN1; SMN2
SCHEMBL1876658 0.86 F13A1 (0.72) F13A1TGM2TGM1
SCHEMBL1872176 0.86 TGM2 (0.85) F13A1TGM2TGM1
SCHEMBL6901234 0.85 F13A1 (0.70) F13A1TGM2TGM1
SCHEMBL22055735 0.84 F13A1 (0.97) F13A1TGM2TGM1ALDH1A1

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.