SCHEMBL25251620

SCHEMBL25251620

COC(=O)C(CC1CCCNC1=O)NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSL P07711 3/20 0.45
▸ CTSB P07858 2/20 0.45
▸ AAK1 Q2M2I8 2/20 0.43

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
SCHEMBL29062690 1.00 CTSS (0.48) CTSSCTSKCTSLCTSBAAK1
SCHEMBL23836557 1.00 CTSS (0.48) CTSSCTSKCTSLCTSBAAK1
SCHEMBL23824564 0.94 CTSL (0.51) CTSSCTSKCTSLCTSBAAK1
SCHEMBL23824272 0.94 CTSL (0.51) CTSSCTSKCTSLCTSBAAK1
SCHEMBL23824275 0.94 CTSL (0.51) CTSSCTSKCTSLCTSBAAK1
SCHEMBL23824270 0.94 CTSL (0.51) CTSSCTSKCTSLCTSBAAK1
SCHEMBL24021092 0.92 CTSL (0.49) CTSSCTSKCTSLCTSBAAK1
SCHEMBL29062975 0.92 CTSL (0.49) CTSSCTSKCTSLCTSBAAK1
SCHEMBL29062972 0.92 CTSL (0.49) CTSSCTSKCTSLCTSBAAK1
SCHEMBL24584247 0.92 NFKB1 (0.41) CTSSCTSK

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
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CTSS 7/4885CTSK 46/4885CTSL 2/4885

“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.

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