SCHEMBL31255296

SCHEMBL31255296

[2H]C([2H])(O)C([2H])([2H])N(c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OCC)cc1)C([2H])([2H])C([2H])([2H])O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.52
▸ CTSK P43235 6/20 0.52
▸ SCN9A Q15858 2/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ KCNQ4 P56696 2/20 0.41
▸ KCNQ5 Q9NR82 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ PTPRA P18433 1/20 0.39
▸ REN P00797 1/20 0.39

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
SCHEMBL20202782 0.89 CTSS (0.54) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL18239928 0.86 CTSS (0.53) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL20208717 0.86 CTSS (0.53) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL18239927 0.83 CTSS (0.60) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL29635621 0.81 CTSS (0.51) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL29635622 0.81 CTSS (0.51) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL29635623 0.81 CTSS (0.51) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL29780768 0.78 CTSS (0.52) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL24101175 0.76 CTSS (0.52) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL28576290 0.76 LMNA (0.59) CTSSCTSKSCN9ACTSLCTSB

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
US-20250115637-A1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES INNOVATION AB (SE) 2025-04-10 — — US disclosed
US-12152087-B2 Deuterated melflufen compounds ONCOPEPTIDES INNOVATION AB (SE) 2024-11-26 — — 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 (2 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-20250115637-A1 COMPOUNDS CONTAINING DEUTERIUM DHX30, H1-10, REN CTSS 1685/4885CTSK 1231/4885SCN9A 954/4885
US-12152087-B2 Deuterated melflufen compounds MC2R, MTNR1A, DHX30 CTSS 3230/4885CTSK 2434/4885SCN9A 1345/4885

“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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