SCHEMBL23366239

SCHEMBL23366239

O=C(CC(NC(=O)[C@H]1C[C@@H](C(=O)C(=O)OCc2ccccc2)C[C@@H](C(=O)C(=O)OCc2ccccc2)C1)C(=O)NCS(=O)(=O)O)NCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 2/20 0.35
S1PR1 P21453 1/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MMP9 P14780 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PSMB11 A5LHX3 2/20 0.34
PSMD11 O00231 2/20 0.34
PSMD12 O00232 2/20 0.34
PSMD14 O00487 2/20 0.34
PSMA7 O14818 2/20 0.34
PSMD3 O43242 2/20 0.34
PSMC3 P17980 2/20 0.34
PSMB1 P20618 2/20 0.34

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
SCHEMBL23366204 0.97 ALDH1A1 (0.34) CTSSCTSLCTSBCTSKS1PR1
SCHEMBL23366221 0.83 PSMB5 (0.36) S1PR1CYP3A4ALDH1A1TSHRMMP9
SCHEMBL23366189 0.83 PSMB5 (0.36) S1PR1CYP3A4ALDH1A1TSHRMMP9
SCHEMBL24180261 0.81 PSMB5 (0.34) S1PR1ALDH1A1MMP9CYP1A2PSMB5
SCHEMBL24180291 0.78 FPR2 (0.31)
SCHEMBL23366166 0.78 CASP1 (0.47)
SCHEMBL23366182 0.74 PSMB5 (0.34) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL23366205 0.71
SCHEMBL23366220 0.71
SCHEMBL23366183 0.69 SMN1; SMN2 (0.52) ALDH1A1TSHRCYP1A2CYP2C19

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-11007274-B2 Compounds for medicinal applications AusVir Therapeutics Pty Ltd (AU) 2021-05-18 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-11007274-B2 Compounds for medicinal applications HAVCR2, ENGASE, DNPEP CTSS 347/4885CTSL 418/4885CTSB 642/4885

“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.