SCHEMBL14054012

SCHEMBL14054012

C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 17/20 0.56
F13A1 P00488 14/20 0.56
TGM1 P22735 14/20 0.56
TGM6 O95932 2/20 0.56
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL14054731 0.87 TGM2 (0.57) TGM2F13A1TGM1TGM6CA12
SCHEMBL14057577 0.85 TGM2 (0.53) TGM2F13A1TGM1TGM6CA12
SCHEMBL14053815 0.85 TGM2 (0.64) TGM2F13A1TGM1TGM6CA12
SCHEMBL14054295 0.84 TGM2 (0.58) TGM2F13A1TGM1TGM6CA12
SCHEMBL14057745 0.83 TGM2 (0.53) TGM2F13A1TGM1TGM6ALDH1A1
SCHEMBL14056567 0.83 TGM2 (0.61) TGM2F13A1TGM1TGM6CA12
SCHEMBL14056332 0.83 TGM2 (0.57) TGM2F13A1TGM1TGM6CA12
SCHEMBL14056230 0.82 TGM2 (0.54) TGM2F13A1TGM1TGM6CA12
SCHEMBL14055398 0.82 TGM2 (0.60) TGM2F13A1TGM1TGM6CA12
SCHEMBL14055604 0.82 TGM2 (0.60) TGM2F13A1TGM1TGM6CA12

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.