SCHEMBL14057679

SCHEMBL14057679

C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)cs3)cc2)CC1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ TGM2 P21980 13/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ F13A1 P00488 6/20 0.46
▸ TGM1 P22735 6/20 0.46
▸ TGM6 O95932 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42

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
SCHEMBL14056368 0.89 HTT (0.49) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14057319 0.87 TGM2 (0.59) HTTSMN1; SMN2TGM2LMNAF13A1
SCHEMBL14057401 0.85 TGM2 (0.55) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14056390 0.85 TGM2 (0.58) HTTSMN1; SMN2TGM2LMNAF13A1
SCHEMBL14054873 0.85 TGM2 (0.54) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14057281 0.84 TGM2 (0.49) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14056382 0.84 TGM2 (0.56) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14055571 0.84 HTT (0.46) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14056225 0.83 TGM2 (0.48) HTTSMN1; SMN2TGM2LMNAMAPT
SCHEMBL14053897 0.83 TGM2 (0.51) HTTSMN1; SMN2TGM2LMNAF13A1

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 HTT 1/4885SMN1; SMN2 216/4885TGM2 2/4885

“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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