SCHEMBL21685309

SCHEMBL21685309

CC(C)(C)OC(=O)n1c(Cn2cccc([N+](=O)[O-])c2=O)nc2c(Oc3ccccc3)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.45
P2RX3 P56373 1/20 0.35
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PIN1 Q13526 1/20 0.33
ELANE P08246 1/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL25948710 0.89 MAP4K1 (0.43) MAP4K1P2RX3RECQLPIN1ELANE
SCHEMBL21685878 0.88 MAP4K1 (0.47) MAP4K1HPGDPIK3CD
SCHEMBL21684901 0.80 MAP4K1 (0.57) MAP4K1P2RX3RECQLELANE
SCHEMBL21685005 0.78 MAP4K1 (0.38) MAP4K1HPGDGPR119PIK3CD
SCHEMBL21684339 0.77 MAP4K1 (0.50) MAP4K1HPGDRECQLELANE
SCHEMBL21703441 0.75 MAP4K1 (0.46) MAP4K1ELANEPIK3CD
SCHEMBL21703439 0.74 MAP4K1 (0.46) MAP4K1PIK3CD
SCHEMBL21685780 0.74 CYP3A4 (0.40) HPGDGPR119PIK3CD
SCHEMBL21703440 0.74 MAP4K1 (0.63) MAP4K1
SCHEMBL21685939 0.73 MAP4K1 (0.43) MAP4K1P2RX3RECQLELANE

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 8 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
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 2520/4885P2RX3 4592/4885HPGD 944/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885P2RX3 4592/4885HPGD 944/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885P2RX3 4592/4885HPGD 944/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885P2RX3 4592/4885HPGD 944/4885

“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.