SCHEMBL14057024

SCHEMBL14057024

C=CC(=O)NC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 12/20 0.57
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MMP2 P08253 1/20 0.48
▸ MMP14 P50281 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ RCOR1 Q9UKL0 1/20 0.48
▸ EGFR P00533 4/20 0.47
▸ PIK3CA P42336 4/20 0.47
▸ F13A1 P00488 4/20 0.47
▸ TGM1 P22735 4/20 0.47
▸ TGM6 O95932 1/20 0.47

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
SCHEMBL14057747 0.94 TGM2 (0.50) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14055348 0.93 NPC1 (0.50) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14055903 0.91 TGM2 (0.53) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14055363 0.91 TGM2 (0.58) TGM2F13A1TGM1TGM6
SCHEMBL14056853 0.91 TGM2 (0.53) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14054701 0.89 MMP2 (0.47) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14056518 0.88 TGM2 (0.55) TGM2F13A1TGM1TGM6
SCHEMBL14056471 0.86 MMP2 (0.47) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14054249 0.86 KDM1A (0.46) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14055321 0.86 KDM1A (0.44) TGM2NPC1RAB9ALMNASMN1; 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 2/4885NPC1 2123/4885RAB9A 1665/4885

“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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