SCHEMBL15850871

SCHEMBL15850871

CC(C)CC(=O)NC(CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.53
▸ ACE P12821 1/20 0.51
▸ SLC15A1 P46059 2/20 0.50
▸ PSMB5 P28074 1/20 0.47
▸ CTSK P43235 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ REN P00797 6/20 0.46
▸ CTSD P07339 3/20 0.46
▸ BACE1 P56817 3/20 0.46
▸ CTSS P25774 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ CAPN2 P17655 1/20 0.44

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
SCHEMBL27895748 0.85 TACR1 (0.53) MMP9SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL24633781 0.84 ALDH1A1 (0.53) MMP9SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL6675104 0.84 CTSK (0.54) MMP9SLC15A1CTSKCTSSCTSL
SCHEMBL755795 0.83 MMP9 (0.52) MMP9SLC15A1CTSKALDH1A1MAPK1
SCHEMBL2912589 0.83 CASP1 (0.60) CTSKALDH1A1CTSSCTSLCTSB
SCHEMBL7583002 0.83 CASP1 (0.60) CTSKALDH1A1CTSSCTSLCTSB
SCHEMBL2912586 0.83 CASP1 (0.60) CTSKALDH1A1CTSSCTSLCTSB
SCHEMBL111390 0.82 ALDH1A1 (0.61) MMP9SLC15A1CTSKALDH1A1MAPK1
SCHEMBL28269654 0.82 FAAH (0.56) PSMB5ALDH1A1
SCHEMBL25454647 0.82 SLC15A1 (0.53) MMP9SLC15A1CTSKALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2017-05-25 — — US disclosed
US-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2017-05-25 — — US disclosed
US-20140187499-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2014-07-03 — — US disclosed
US-20140187499-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2014-07-03 — — 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-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ALG8, FUT8, UGT8 MMP9 3442/4885ACE 540/4885SLC15A1 552/4885
US-20140187499-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS FUT6, FUT5, FUT8 MMP9 2880/4885ACE 609/4885SLC15A1 1159/4885

“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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