SCHEMBL25877166

SCHEMBL25877166

C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)CC13CC4CC(CC(C4)C1)C3)C(C)(C)C)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP3A43 Q9HB55 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ELANE P08246 1/20 0.38
CMA1 P23946 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSF Q9UBX1 1/20 0.38
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL25879408 0.80 CTSV (0.51) CYP3A4CTSVCTSSCTSK
SCHEMBL25877793 0.78 CTSV (0.40) CYP3A4CTSVCTSSCTSK
SCHEMBL14870493 0.76 CTSV (0.38) CYP3A4CTSVCTSLCTSBELANE
SCHEMBL24961108 0.76 CTSV (0.50) CYP3A4CTSVCTSSCTSK
SCHEMBL24690951 0.76 CTSV (0.50) CYP3A4CTSVCTSSCTSK
SCHEMBL16867326 0.76 ELANE (0.55) CTSVCTSLCTSBELANECMA1
SCHEMBL27349036 0.75 ELANE (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL25881209 0.74 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL25877629 0.74 CTSV (0.40) CYP3A4CTSVCTSLCTSBELANE
SCHEMBL25877573 0.73 CTSV (0.40) CTSVCTSLCTSBELANECMA1

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-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 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-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF SERPINB1, CTSV, CTSE CYP3A4 1869/4885CYP3A5 2058/4885CYP3A7 1669/4885

“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.