SCHEMBL25328694

SCHEMBL25328694

CC(C)C(NC(=O)O)C(=O)NCCS

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
ECE1 P42892 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL25327976 0.83 KMT2A (0.47) CTSSCTSKLMNAPOLBKMT2A
SCHEMBL12462704 0.80 SMN1; SMN2 (0.54) CTSSCTSKLMNASMN1; SMN2MAPK1
SCHEMBL17870446 0.80 CTSS (0.39) CTSSCTSKLMNAPOLBKMT2A
SCHEMBL19323080 0.79 CTSS (0.42) CTSSCTSKLMNAPOLBKMT2A
SCHEMBL19323030 0.79 CTSS (0.42) CTSSCTSKLMNAPOLBKMT2A
SCHEMBL17870460 0.77 CTSS (0.37) CTSSCTSKLMNAPOLBKMT2A
SCHEMBL17870458 0.77 CTSS (0.37) CTSSCTSKLMNAPOLBKMT2A
SCHEMBL5873406 0.77 CTSK (0.65) CTSSCTSKCA2CYP2D6
SCHEMBL7754405 0.77 CTSK (0.65) CTSSCTSKCA2CYP2D6
SCHEMBL5873386 0.77 CTSK (0.65) CTSSCTSKCA2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS APICAL MOLECULAR BIOTECH CO., LTD. (TW) 2023-07-27 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 (1 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-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS FABP1, GLS2, SLC1A5 CTSS 1586/4885CTSK 2360/4885LMNA 2366/4885

“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.