SCHEMBL21684339

SCHEMBL21684339

CC(C)(C)OC(=O)n1c(Cn2cccc([N+](=O)[O-])c2=O)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.50
HTT P42858 1/20 0.45
TBXA2R P21731 1/20 0.40
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MET P08581 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
CFTR P13569 1/20 0.38
ELANE P08246 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
SCHEMBL31303995 0.85 MAP4K1 (0.53) MAP4K1
SCHEMBL21685128 0.85 MAP4K1 (0.53) MAP4K1
SCHEMBL21685939 0.82 MAP4K1 (0.43) MAP4K1HTTRECQLELANE
SCHEMBL21684342 0.81 ELANE (0.40) MAP4K1HTTRECQLELANE
SCHEMBL31304001 0.79 MAP4K1 (0.44) MAP4K1HTTRECQLELANE
SCHEMBL21684437 0.79 MAP4K1 (0.44) MAP4K1HTTRECQLELANE
SCHEMBL21684452 0.79 MAP4K1 (0.43) MAP4K1HTTRECQLMETELANE
SCHEMBL21685594 0.79 MAP4K1 (0.45) MAP4K1HTTRECQLMETELANE
SCHEMBL21685309 0.77 MAP4K1 (0.45) MAP4K1HPGDRECQLELANE
SCHEMBL25948710 0.77 MAP4K1 (0.43) MAP4K1HTTRECQLELANE

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
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
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 2520/4885HTT 311/4885TBXA2R 948/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885HTT 311/4885TBXA2R 948/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885HTT 311/4885TBXA2R 948/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885HTT 311/4885TBXA2R 948/4885

“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.