SCHEMBL2292272

SCHEMBL2292272

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CACNA1B Q00975 1/20 0.48
NOS2 P35228 2/20 0.48
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
BCL2 P10415 2/20 0.46
ACE P12821 1/20 0.45

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
SCHEMBL2292276 1.00 KLK5 (0.52) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL2293362 1.00 KLK5 (0.52) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL2293357 1.00 KLK5 (0.52) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL2287574 0.97 KLK5 (0.49) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL2287570 0.97 KLK5 (0.49) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL1744150 0.94 KLK5 (0.57) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL1744149 0.94 KLK5 (0.57) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL3498037 0.90 BCL2 (0.56) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL3498036 0.90 BCL2 (0.56) KLK5ITGB3ITGA2BPPARGPPARA
SCHEMBL2294118 0.89 KLK5 (0.61) KLK5ITGB3ITGA2BCTSSCTSK

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 2336/4885ITGB3 772/4885ITGA2B 1886/4885

“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.