SCHEMBL14056771

SCHEMBL14056771

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ NAMPT P43490 2/20 0.55
▸ MBTD1 Q05BQ5 1/20 0.55
▸ L3MBTL3 Q96JM7 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ EPHX2 P34913 2/20 0.50
▸ RECQL P46063 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ RIN1 Q13671 1/20 0.48

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
SCHEMBL14056081 0.86 NAMPT (0.59) NAMPTL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL14134637 0.85 GLA (0.58) NAMPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL2957988 0.84 NAMPT (0.60) NAMPTLMNAKMT2AMEN1ABL1
SCHEMBL24711433 0.83 EPHX2 (0.57) NAMPTALDH1A1LMNAKMT2AEPHX2
SCHEMBL14057053 0.83 NAMPT (0.56) NAMPTALDH1A1LMNAKMT2AEPHX2
SCHEMBL29508846 0.83 LMNA (0.66) NAMPTL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL12644375 0.83 NAMPT (0.70) NAMPTKMT2AEPHX2MEN1ABL1
SCHEMBL7082223 0.82 KMT2A (0.61) MAPTNAMPTALDH1A1LMNAKMT2A
SCHEMBL20772218 0.82 EPHX2 (0.64) NAMPTALDH1A1LMNAKMT2AEPHX2
SCHEMBL2060140 0.82 KMT2A (0.61) MAPTNAMPTL3MBTL1LMNAKMT2A

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 6 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-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 — — US disclosed
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
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 — — 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 MAPT 31/4885NAMPT 1186/4885MBTD1 2456/4885

“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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