SCHEMBL2294112

SCHEMBL2294112

COC(=O)[C@@H](Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.61
CTSS P25774 6/20 0.56
CTSK P43235 5/20 0.56
CTSB P07858 2/20 0.56
CTSL P07711 1/20 0.56
MMP13 P45452 1/20 0.55
HDAC8 Q9BY41 1/20 0.54
ACE P12821 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
SCN9A Q15858 2/20 0.52
TSHR P16473 1/20 0.52
ABCB1 P08183 1/20 0.52
BCL2 P10415 1/20 0.52
PTPN1 P18031 1/20 0.51

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
SCHEMBL29721250 1.00 KLK5 (0.61) KLK5CTSSCTSKCTSBCTSL
SCHEMBL29103443 1.00 KLK5 (0.61) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2294118 1.00 KLK5 (0.61) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2292773 0.94 ITGB3 (0.60) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2292769 0.94 ITGB3 (0.60) KLK5CTSSCTSKCTSBCTSL
SCHEMBL20249540 0.94 KLK5 (0.61) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2292947 0.92 PPARG (0.59) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2292944 0.92 PPARG (0.59) KLK5CTSSCTSKCTSBCTSL
SCHEMBL3923929 0.90 ACE (0.65) CTSSCTSKCTSBCTSLMMP13
SCHEMBL3925152 0.90 ACE (0.65) CTSSCTSKCTSBCTSLMMP13

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-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
EP-2066800-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2009-06-10 EP disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R KLK5 2336/4885CTSS 806/4885CTSK 1400/4885

“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.