SCHEMBL14054249

SCHEMBL14054249

C=CC(=O)NC1CC2CN(S(=O)(=O)c3ccc(NC(=O)c4cc5ccccc5[nH]4)cc3)CC2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TGM2 P21980 10/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ PIK3CA P42336 4/20 0.41
▸ F13A1 P00488 6/20 0.41
▸ TGM1 P22735 6/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ TGM6 O95932 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38

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 0.87 TGM2 (0.50) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL14057024 0.86 TGM2 (0.57) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL14055348 0.86 NPC1 (0.50) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL14055285 0.84 TGM2 (0.42) TGM2F13A1TGM1TGM6
SCHEMBL14055782 0.83 TGM2 (0.45) TGM2F13A1TGM1CHRNA7HTR3A
SCHEMBL14054701 0.83 MMP2 (0.47) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL14057764 0.82 NPC1 (0.47) NPC1RAB9ALMNASMN1; SMN2TGM2
SCHEMBL14055321 0.82 KDM1A (0.44) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL14055363 0.81 TGM2 (0.58) TGM2F13A1TGM1TGM6
SCHEMBL14056538 0.80 TSHR (0.54) RAB9ALMNASMN1; SMN2TGM2F13A1

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 KDM1A 2291/4885RCOR1 3803/4885NPC1 2123/4885

“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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