Sugi Predict

Sugi Predict / Compounds / SCHEMBL21684641

SCHEMBL21684641

SCHEMBL21684641

CC(=O)Nc1c(F)cc(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ GAA P10253 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL31569422 0.89 MAPT (0.43) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL26091661 0.86 GAA (0.41) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL26922015 0.86 GAA (0.41) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL26981453 0.86 MAPT (0.43) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31569299 0.84 GAA (0.42) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9725076 0.81 MAPT (0.42) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7247838 0.80 GAA (0.41) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30003299 0.79 MAPT (0.43) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28892238 0.79 MAPT (0.43) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23579735 0.79 MAPT (0.40) MAPTGAAKDM4ESMN1; SMN2ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 — — EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 — — US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 — — US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 — — EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 — — US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 — — EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 — — US disclosed
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 — — CN disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 — — WO 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 (4 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAPT 353/4885GAA 15/4885KDM4E 2034/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAPT 353/4885GAA 15/4885KDM4E 2034/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAPT 353/4885GAA 15/4885KDM4E 2034/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAPT 353/4885GAA 15/4885KDM4E 2034/4885

“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.