SCHEMBL25328642

SCHEMBL25328642

[CH2]CNC(=O)C(N)CCSC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.44
FNTA P49354 9/20 0.43
FNTB P49356 9/20 0.43
PGGT1B P53609 7/20 0.43
DPP7 Q9UHL4 2/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
RNPEP Q9H4A4 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
RRM1 P23921 1/20 0.37
TSHR P16473 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
SCHEMBL12257898 0.83 CTSC (0.45) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL12341594 0.83 CTSC (0.45) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL17746783 0.80 SLC15A1 (0.48) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL10979752 0.80 CTSC (0.43) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL538055 0.80 ALDH1A1 (0.44) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL10607119 0.80 CTSC (0.43) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL538056 0.80 ALDH1A1 (0.44) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL10607116 0.80 CTSC (0.43) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL21983542 0.79 ANPEP (0.50) CTSCFNTAFNTBPGGT1BDPP7
Hydrochloric Acid SCHEMBL28446972 0.79 ALDH1A1 (0.43) CTSCFNTAFNTBPGGT1BDPP7

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 CTSC 1169/4885FNTA 445/4885FNTB 597/4885

“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.