SCHEMBL2562905

SCHEMBL2562905

CC(=O)O/N=C(\N)c1ccc(CNC(=O)C(CCC(=O)O)NC(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.48
▸ F10 P00742 12/20 0.48
▸ PLG P00747 6/20 0.47
▸ KLKB1 P03952 4/20 0.47
▸ PROC P04070 1/20 0.47
▸ MASP2 O00187 2/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ TMPRSS11D O60235 6/20 0.40
▸ TMPRSS2 O15393 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ F11 P03951 1/20 0.38

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
SCHEMBL2562907 1.00 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL12127052 0.92 F2 (0.44) F2F10PLGKLKB1PROC
SCHEMBL17381507 0.89 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL17381407 0.88 F2 (0.44) F2F10PLGKLKB1PROC
SCHEMBL20560497 0.86 F2 (0.58) F2F10PLGKLKB1PROC
SCHEMBL1328107 0.86 F2 (0.58) F2F10PLGKLKB1PROC
SCHEMBL8289994 0.83 F2 (0.55) F2F10PLGKLKB1PROC
SCHEMBL20012115 0.83 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL2562899 0.82 MASP2 (0.42) F2MASP2NFKB1PSMB5NFKB2
SCHEMBL8289977 0.82 F2 (0.61) F2F10PLGKLKB1PROC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238020-B2 Compositions comprising enzyme-cleavable phenol-modified tapentadol prodrug SIGNATURE THERAPEUTICS, INC. (US) 2016-01-19 — — US disclosed
US-20130089504-A1 Compositions Comprising Enzyme-Cleavable Hydromorphone Prodrug SIGNATURE THERAPEUTICS, INC. (US) 2013-04-11 — — US disclosed
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug SIGNATURE THERAPEUTICS, INC. (US) 2013-04-11 — — US disclosed
WO-2011133178-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED TAPENTADOL PRODRUG PHARMACOFORE, INC (US) 2011-10-27 — — WO disclosed
WO-2011133179-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE HYDROMORPHONE PRODRUG PHARMACOFORE, INC (US) 2011-10-27 — — WO 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-20130089504-A1 Compositions Comprising Enzyme-Cleavable Hydromorphone Prodrug TMPRSS15, DNPEP, PGA5 F2 843/4885F10 1427/4885PLG 90/4885
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug CYP2C9, ACHE, COMT F2 1981/4885F10 2644/4885PLG 428/4885

“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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