Sugi Predict

Sugi Predict / Compounds / SCHEMBL21684686

SCHEMBL21684686

SCHEMBL21684686

CC(C)(C)OC(=O)n1c(Cn2cccc([N+](=O)[O-])c2=O)nc2c(CC3CC3)cc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 17/20 0.45
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RECQL P46063 1/20 0.34

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
SCHEMBL21684437 0.89 MAP4K1 (0.44) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL31304001 0.89 MAP4K1 (0.44) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21685803 0.88 MAP4K1 (0.48) MAP4K1
SCHEMBL21685457 0.87 MAP4K1 (0.55) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21684452 0.79 MAP4K1 (0.43) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21684342 0.78 ELANE (0.40) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21685939 0.78 MAP4K1 (0.43) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21685594 0.77 MAP4K1 (0.45) MAP4K1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21684339 0.77 MAP4K1 (0.50) MAP4K1HTTRECQL
SCHEMBL21702927 0.77 MAP4K1 (0.41) MAP4K1

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 MAP4K1 2520/4885ALDH1A1 4148/4885HTT 311/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885ALDH1A1 4148/4885HTT 311/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885ALDH1A1 4148/4885HTT 311/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885ALDH1A1 4148/4885HTT 311/4885

“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.