SCHEMBL26818317

SCHEMBL26818317

COC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.43
▸ CTSK P43235 4/20 0.43
▸ PSENEN Q9NZ42 2/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ KLK5 Q9Y337 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36

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
SCHEMBL9041191 1.00 CTSS (0.43) CTSSCTSKPSENENCA1CA2
SCHEMBL9041907 1.00 CTSS (0.43) CTSSCTSKPSENENCA1CA2
SCHEMBL17081866 0.90 CTSK (0.53) CTSSCTSKPSENENCA1CA2
SCHEMBL28948915 0.90 CTSK (0.53) CTSSCTSKPSENENCA1CA2
SCHEMBL26818451 0.87 CTSS (0.56) CTSSCTSKPSENENCA2
SCHEMBL16668135 0.86 CTSL (0.50) CTSSCTSKPSENENCA1CA2
SCHEMBL29193623 0.85 NFKB1 (0.43) CTSSCTSKPSENENCA1CA2
SCHEMBL29193625 0.85 NFKB1 (0.43) CTSSCTSKPSENENCA1CA2
SCHEMBL28948917 0.85 KMT2A (0.43) CTSSCTSKPSENENCA1CA2
SCHEMBL370241 0.85 KMT2A (0.43) CTSSCTSKPSENENCA1CA2

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-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING Changzhou University (CN) 2023-11-30 — — 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-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING PTMS, CBS, CHAMP1 CTSS 1441/4885CTSK 3350/4885PSENEN 1902/4885

“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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