SCHEMBL21685010

SCHEMBL21685010

CC(C)(O)C(F)(F)c1cccc2c1nc(Cn1cccc([N+](=O)[O-])c1=O)n2COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.42
ELANE P08246 1/20 0.35
RECQL P46063 1/20 0.34
DCTPP1 Q9H773 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL21684533 0.88 MAP4K1 (0.44) MAP4K1ELANENPC1PPARG
SCHEMBL21685229 0.84 MAP4K1 (0.41) MAP4K1ELANERECQLDCTPP1ALDH1A1
SCHEMBL31304030 0.84 MAP4K1 (0.41) MAP4K1ELANERECQLDCTPP1ALDH1A1
SCHEMBL21685499 0.79 MAP4K1 (0.38) MAP4K1ELANERECQLDCTPP1
SCHEMBL21684743 0.79 PPARG (0.35) MAP4K1NPC1PPARG
SCHEMBL21684349 0.79 ALDH1A1 (0.40) MAP4K1ELANERECQLDCTPP1ALDH1A1
SCHEMBL21685505 0.77 MAP4K1 (0.37) MAP4K1ELANERECQLALDH1A1HTT
SCHEMBL31304003 0.77 MAP4K1 (0.37) MAP4K1ELANERECQLALDH1A1HTT
SCHEMBL21684360 0.76 MAP4K1 (0.45) MAP4K1ELANENPC1PPARG
SCHEMBL21684635 0.76 MAP4K1 (0.44) MAP4K1ELANENPC1PPARG

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 2520/4885ELANE 2815/4885RECQL 3840/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885ELANE 2815/4885RECQL 3840/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885ELANE 2815/4885RECQL 3840/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885ELANE 2815/4885RECQL 3840/4885

“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.