SCHEMBL2292769

SCHEMBL2292769

COC(=O)[C@H](Cc1ccc(OCCOc2ccc(Oc3ccccc3)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
KLK5 Q9Y337 1/20 0.56
HDAC8 Q9BY41 1/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
BCL2 P10415 2/20 0.52
PTPN1 P18031 2/20 0.52
CTSS P25774 3/20 0.51
CTSK P43235 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
MMP13 P45452 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
SCHEMBL2292773 1.00 ITGB3 (0.60) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL29103443 0.94 KLK5 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL2294112 0.94 KLK5 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL29721250 0.94 KLK5 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL2294118 0.94 KLK5 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL2291767 0.91 ITGB3 (0.71) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL2291775 0.91 ITGB3 (0.71) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL20249540 0.89 KLK5 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL13367276 0.89 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL26250622 0.89 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1

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 ITGB3 772/4885ITGA2B 1886/4885KLK5 2336/4885

“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.