SCHEMBL24101175

SCHEMBL24101175

BC(B)(B)C(B)(B)OC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.52
▸ CTSK P43235 6/20 0.52
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ PTPN1 P18031 3/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ NPR3 P17342 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
SCHEMBL18239928 0.89 CTSS (0.53) CTSSCTSKLMNAKMT2ASCN9A
SCHEMBL20208717 0.89 CTSS (0.53) CTSSCTSKLMNAKMT2ASCN9A
SCHEMBL28576290 0.88 LMNA (0.59) CTSSCTSKLMNAKMT2ASCN9A
SCHEMBL29635622 0.87 CTSS (0.51) CTSSCTSKLMNAKMT2ASCN9A
SCHEMBL29635623 0.87 CTSS (0.51) CTSSCTSKLMNAKMT2ASCN9A
SCHEMBL29635621 0.87 CTSS (0.51) CTSSCTSKLMNAKMT2ASCN9A
SCHEMBL22567356 0.85 CYP3A4 (0.49) CTSSCTSKLMNAKMT2ANPR3
SCHEMBL24506756 0.85 CYP3A4 (0.49) CTSSCTSKLMNAKMT2ANPR3
SCHEMBL20202782 0.81 CTSS (0.54) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL24101047 0.81 LMNA (0.49) CTSSCTSKLMNAKMT2ANPR3

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-20220184021-A1 NOVEL FORMULATIONS COMPRISING MELFLUFEN ONCOPEPTIDES AB (SE) 2022-06-16 — — US disclosed
US-20210388024-A1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES AB (SE) 2021-12-16 — — 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-20210388024-A1 COMPOUNDS CONTAINING DEUTERIUM DHX30, H1-10, REN CTSS 1722/4885CTSK 1337/4885LMNA 3001/4885
US-20220184021-A1 NOVEL FORMULATIONS COMPRISING MELFLUFEN F12, FGF2, MC3R CTSS 3982/4885CTSK 3527/4885LMNA 3215/4885

“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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