SCHEMBL21684871

SCHEMBL21684871

Nc1ccc(F)cc1CCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
KEAP1 Q14145 1/20 0.36
IDO1 P14902 4/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
AGXT P21549 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 3/20 0.31
MPO P05164 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL28625612 0.80 ALDH1A1 (0.46) ALDH1A1ATP4AATP4BKEAP1IDO1
SCHEMBL28635548 0.79 KDM4E (0.35) ALDH1A1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL21684879 0.77 HTR2A (0.30) HTR2A
SCHEMBL21685406 0.77 DPP4 (0.34) ALDH1A1IDO1DPP4DPP8DPP9
SCHEMBL11516783 0.76 ALDH1A1 (0.46) ALDH1A1ATP4AATP4BKEAP1IDO1
SCHEMBL6491287 0.76 ALDH1A1 (0.46) ALDH1A1ATP4AATP4BKEAP1IDO1
SCHEMBL310770 0.76 ALDH1A1 (0.46) ALDH1A1ATP4AATP4BKEAP1SLC6A2
SCHEMBL7197602 0.74 ALDH1A1 (0.54) ALDH1A1ATP4AATP4BKEAP1IDO1
Ammonia Solution, Strong SCHEMBL3631154 0.74 ALDH1A1 (0.45) ALDH1A1ATP4AATP4BKEAP1SLC6A2
SCHEMBL28645785 0.74 SLC6A4 (0.46) ALDH1A1ATP4AATP4BKEAP1IDO1

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 11 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
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
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
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 4148/4885ATP4A 2162/4885ATP4B 2876/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885ATP4A 2162/4885ATP4B 2876/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885ATP4A 2162/4885ATP4B 2876/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885ATP4A 2162/4885ATP4B 2876/4885

“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.