SCHEMBL14057747

SCHEMBL14057747

C=CC(=O)NC1CC2CN(S(=O)(=O)c3ccc(NC(=O)c4cc5ccccc5[nH]4)cc3)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 12/20 0.50
▸ KDM1A O60341 1/20 0.48
▸ RCOR1 Q9UKL0 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ EGFR P00533 4/20 0.45
▸ PIK3CA P42336 4/20 0.45
▸ F13A1 P00488 4/20 0.45
▸ TGM1 P22735 4/20 0.45
▸ TGM6 O95932 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
SCHEMBL14057024 0.94 TGM2 (0.57) TGM2KDM1ARCOR1NPC1RAB9A
SCHEMBL14055348 0.90 NPC1 (0.50) TGM2KDM1ARCOR1NPC1RAB9A
SCHEMBL14055363 0.89 TGM2 (0.58) TGM2F13A1TGM1TGM6
SCHEMBL14055903 0.87 TGM2 (0.53) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14054701 0.87 MMP2 (0.47) TGM2KDM1ARCOR1NPC1RAB9A
SCHEMBL14056471 0.87 MMP2 (0.47) TGM2KDM1ARCOR1NPC1RAB9A
SCHEMBL14054249 0.87 KDM1A (0.46) TGM2KDM1ARCOR1NPC1RAB9A
SCHEMBL14055321 0.87 KDM1A (0.44) TGM2KDM1ARCOR1NPC1RAB9A
SCHEMBL14056853 0.86 TGM2 (0.53) TGM2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14056518 0.85 TGM2 (0.55) TGM2F13A1TGM1TGM6

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 2/4885KDM1A 2291/4885RCOR1 3803/4885

“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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