SCHEMBL14057050

SCHEMBL14057050

C=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4c([nH]3)CCCC4)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 10/20 0.48
▸ TGM2 P21980 10/20 0.48
▸ TGM1 P22735 10/20 0.48
▸ DDIT3 P35638 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL14054344 0.83 TGM2 (0.56) F13A1TGM2TGM1
SCHEMBL14057106 0.82 TGM2 (0.42) F13A1TGM2TGM1KMT2A
SCHEMBL14057010 0.82 MMP2 (0.47) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL14054380 0.81 TGM2 (0.54) F13A1TGM2TGM1
SCHEMBL14055655 0.81 TGM2 (0.57) F13A1TGM2TGM1ALDH1A1
SCHEMBL14057451 0.81 ALDH1A1 (0.51) F13A1TGM2TGM1ALDH1A1MEN1
SCHEMBL14056432 0.81 TGM2 (0.47) F13A1TGM2TGM1
SCHEMBL14056641 0.81 TGM2 (0.53) F13A1TGM2TGM1
SCHEMBL14055913 0.80 TGM2 (0.45) F13A1TGM2TGM1DDIT3MEN1
SCHEMBL14057927 0.80 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1MEN1

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 F13A1 1540/4885TGM2 2/4885TGM1 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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