SCHEMBL22390674

SCHEMBL22390674

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ SCN9A Q15858 4/20 0.38
▸ LMNA P02545 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.35
▸ CTSS P25774 1/20 0.35

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
SCHEMBL22390677 1.00 PPARG (0.43) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL22404815 0.85 KLK7 (0.46) PPARGPPARAACEPTPN1CTSS
SCHEMBL17492162 0.79 PPARA (0.50) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL17492160 0.79 PPARA (0.50) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL22390694 0.79 CASP3 (0.48) CTSSCTSK
SCHEMBL22390697 0.79 CASP3 (0.48) CTSSCTSK
SCHEMBL22390726 0.76 CASP3 (0.46) PPARGPPARAACEHDAC8SCN9A
SCHEMBL22390722 0.76 CASP3 (0.46) PPARGPPARAACEHDAC8SCN9A
SCHEMBL17492077 0.76 SCN9A (0.46) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL17492075 0.76 SCN9A (0.46) PPARGPPARAPSEN1PSEN2APH1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 — — US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 — — US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 — — US 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 (3 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 PPARG 3105/4885PPARA 3631/4885PSEN1 122/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 PPARG 3105/4885PPARA 3631/4885PSEN1 122/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 PPARG 3105/4885PPARA 3631/4885PSEN1 122/4885

“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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