SCHEMBL14054882

SCHEMBL14054882

C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)cs3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.61
▸ F13A1 P00488 8/20 0.57
▸ TGM1 P22735 8/20 0.57
▸ HTT P42858 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ TGM6 O95932 1/20 0.47
▸ MAPT P10636 3/20 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
▸ USP5 P45974 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL14057319 0.88 TGM2 (0.59) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14056382 0.85 TGM2 (0.56) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14056390 0.82 TGM2 (0.58) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14058364 0.82 TGM2 (0.60) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14057679 0.82 HTT (0.52) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14057281 0.82 TGM2 (0.49) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14057401 0.82 TGM2 (0.55) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14056673 0.81 HTT (0.49) TGM2F13A1TGM1HTTSMN1; SMN2
SCHEMBL14056316 0.81 TGM2 (0.66) TGM2F13A1TGM1HTTALDH1A1
SCHEMBL14054873 0.81 TGM2 (0.54) TGM2F13A1TGM1HTTSMN1; SMN2

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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