SCHEMBL24939430

SCHEMBL24939430

N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1ccnc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.40
▸ CASP8 Q14790 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CASP6 P55212 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.34
▸ LCAT P04180 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33

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
Hydrochloric Acid SCHEMBL29179565 0.99 CASP3 (0.39) CASP3CASP8CASP1CASP9CYP2D6
Hydrochloric Acid SCHEMBL29179568 0.99 CASP3 (0.39) CASP3CASP8CASP1CASP9CYP2D6
Hydrochloric Acid SCHEMBL29179573 0.99 CASP3 (0.39) CASP3CASP8CASP1CASP9CYP2D6
Hydrochloric Acid SCHEMBL30277121 0.99 CASP3 (0.39) CASP3CASP8CASP1CASP9CYP2D6
SCHEMBL29179606 0.87 CASP3 (0.38) CASP3CASP8CASP1CASP9CYP2D6
SCHEMBL29179613 0.87 CASP3 (0.38) CASP3CASP8CASP1CASP9CYP2D6
SCHEMBL29179610 0.87 CASP3 (0.38) CASP3CASP8CASP1CASP9CYP2D6
SCHEMBL29179587 0.82 CASP3 (0.41) CASP3CASP8CASP1CASP9CASP6
SCHEMBL24710762 0.82 CASP3 (0.41) CASP3CASP8CASP1CASP9CASP6
SCHEMBL29179591 0.82 CASP3 (0.41) CASP3CASP8CASP1CASP9CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 — — 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 (2 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 CASP3 239/4885CASP8 903/4885CASP1 194/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CASP3 239/4885CASP8 903/4885CASP1 194/4885

“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.

Send feedback