SCHEMBL25908942

SCHEMBL25908942

CN[C@@H](Cc1c(F)c(C)c(F)c(F)c1F)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.37
TAS1R1 Q7RTX1 8/20 0.37
TAS1R2 Q8TE23 8/20 0.37
CTSS P25774 1/20 0.35
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP1 P03956 1/20 0.34
OPRD1 P41143 1/20 0.32
CTSL P07711 1/20 0.30
IMPDH2 P12268 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
SCHEMBL14898392 0.93 CTSS (0.38) TAS1R3TAS1R1TAS1R2CTSSMMP2
SCHEMBL19790147 0.93 CTSS (0.38) TAS1R3TAS1R1TAS1R2CTSSMMP2
SCHEMBL10065865 0.78 CTSS (0.41) TAS1R3TAS1R1TAS1R2CTSSMMP2
SCHEMBL14949074 0.75 CTSS (0.37) TAS1R3TAS1R1TAS1R2CTSSMMP2
SCHEMBL14010002 0.74 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2CTSSMMP2
SCHEMBL18855074 0.70 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL20364905 0.70 HDAC3 (0.38)
SCHEMBL8301882 0.69 OPRM1 (0.39) OPRD1
SCHEMBL22679571 0.69 CTSS (0.33) CTSSMMP2MMP3MMP1
SCHEMBL19369908 0.69 MAOB (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 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-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP TAS1R3 1554/4885TAS1R1 1031/4885TAS1R2 834/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TAS1R3 1554/4885TAS1R1 1031/4885TAS1R2 834/4885

“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.