SCHEMBL21684546

SCHEMBL21684546

Nc1c(CCC(F)(F)F)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP3A4 P08684 3/20 0.36
▸ PDE7A Q13946 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 6/20 0.34
▸ ATM Q13315 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ TYMS P04818 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ TXNRD3 Q86VQ6 1/20 0.33
▸ TXNRD2 Q9NNW7 1/20 0.33
▸ SNCA P37840 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
SCHEMBL21684972 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4PDE7AMAPTTDP1
SCHEMBL7784325 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4PDE7AMAPTSMN1; SMN2
SCHEMBL21684879 0.75 HTR2A (0.30) —
SCHEMBL21685703 0.74 MAPT (0.39) ALDH1A1CYP3A4MAPTSMN1; SMN2POLB
SCHEMBL21685487 0.73 ALDH1A1 (0.36) ALDH1A1CYP3A4PDE7AMAPTSMN1; SMN2
SCHEMBL8902847 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE7ASMN1; SMN2TDP1
SCHEMBL602423 0.71 TDP1 (0.53) ALDH1A1CYP3A4PDE7AMAPTSMN1; SMN2
SCHEMBL7787972 0.71 ALDH1A1 (0.59) ALDH1A1CYP3A4PDE7AMAPTSMN1; SMN2
SCHEMBL10267404 0.70 PDGFRB (0.50) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL631164 0.70 ALDH1A1 (0.63) ALDH1A1CYP3A4PDE7AMAPTSMN1; SMN2

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 ALDH1A1 4148/4885CYP3A4 3514/4885PDE7A 3538/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885CYP3A4 3514/4885PDE7A 3538/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885CYP3A4 3514/4885PDE7A 3538/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885CYP3A4 3514/4885PDE7A 3538/4885

“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.

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