SCHEMBL14055655

SCHEMBL14055655

C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4c([nH]3)CCCC4)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 18/20 0.57
▸ F13A1 P00488 15/20 0.53
▸ TGM1 P22735 15/20 0.53
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TGM6 O95932 1/20 0.44

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
SCHEMBL14054344 0.88 TGM2 (0.56) TGM2F13A1TGM1L3MBTL1TGM6
SCHEMBL14056641 0.86 TGM2 (0.53) TGM2F13A1TGM1L3MBTL1TGM6
SCHEMBL14054380 0.83 TGM2 (0.54) TGM2F13A1TGM1TGM6
SCHEMBL14057476 0.83 TGM2 (0.52) TGM2F13A1TGM1TGM6
SCHEMBL14056432 0.82 TGM2 (0.47) TGM2F13A1TGM1TGM6
SCHEMBL14056824 0.82 TGM2 (0.51) TGM2F13A1TGM1ALDH1A1TGM6
SCHEMBL14056716 0.82 TGM2 (0.60) TGM2F13A1TGM1ALDH1A1L3MBTL1
SCHEMBL14058426 0.82 TGM2 (0.46) TGM2F13A1TGM1TGM6
SCHEMBL14057050 0.81 F13A1 (0.48) TGM2F13A1TGM1ALDH1A1
SCHEMBL14057122 0.81 TGM2 (0.55) TGM2F13A1TGM1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 — — US disclosed
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 — — US 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-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN TGM2 2/4885F13A1 1540/4885TGM1 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.

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