SCHEMBL14056716

SCHEMBL14056716

C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.60
▸ F13A1 P00488 10/20 0.56
▸ TGM1 P22735 10/20 0.56
▸ ALDH1A1 P00352 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TGM6 O95932 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ RCOR1 Q9UKL0 1/20 0.45
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL14055363 0.88 TGM2 (0.58) TGM2F13A1TGM1L3MBTL1TGM6
SCHEMBL14056518 0.85 TGM2 (0.55) TGM2F13A1TGM1L3MBTL1TGM6
SCHEMBL14055348 0.82 NPC1 (0.50) TGM2F13A1TGM1NPC1LMNA
SCHEMBL14057024 0.82 TGM2 (0.57) TGM2F13A1TGM1NPC1LMNA
SCHEMBL14055655 0.82 TGM2 (0.57) TGM2F13A1TGM1ALDH1A1L3MBTL1
SCHEMBL14054894 0.82 TGM2 (0.63) TGM2F13A1TGM1ALDH1A1L3MBTL1
SCHEMBL14056352 0.82 TGM2 (0.46) TGM2F13A1TGM1NPC1LMNA
SCHEMBL14055903 0.81 TGM2 (0.53) TGM2F13A1TGM1NPC1LMNA
SCHEMBL14057010 0.81 MMP2 (0.47) TGM2F13A1TGM1NPC1LMNA
SCHEMBL14058364 0.81 TGM2 (0.60) TGM2F13A1TGM1ALDH1A1L3MBTL1

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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