SCHEMBL6864504

SCHEMBL6864504

CC(C)(C)OC(=O)C1(NCC(=O)O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2 P00734 1/20 0.31
PROC P04070 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1782571 0.98 MME (0.33) MMEITGB3ITGA2BF2PROC
Water SCHEMBL6244439 0.97 MME (0.32) MMEITGB3ITGA2B
SCHEMBL22529222 0.93 CYP4F2 (0.31) ITGB3ITGA2BCYP4F2CYP4A11
SCHEMBL6676794 0.88 MAPT (0.37) ITGB3ITGA2B
SCHEMBL3525418 0.84 CA12 (0.42) CYP4F2CYP4A11NPSR1
SCHEMBL7437999 0.79 MAPT (0.38) CYP4F2CYP4A11NPSR1
SCHEMBL1696853 0.78 CA12 (0.41) CYP4F2CYP4A11
SCHEMBL7431988 0.78 MAPT (0.40) CYP4F2CYP4A11NPSR1
SCHEMBL5227332 0.75 NPSR1 (0.33) CYP4F2CYP4A11NPSR1
SCHEMBL27175299 0.75 CTSL (0.46)

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-6806279-B2 FOR THERAPY OF AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, UVEITIS, AND PSORIASIS, ALLOGRAFT REJECTION, AND GRAFT-VERSUS-HOST DISEASE SUNESIS PHARMACEUTICALS, INC. 2004-10-19 US disclosed
CN-1150206-C Bradykinin antagonist peptides containing N-substituted glycines 2004-05-19 CN disclosed
US-20030149049-A1 Small-molecule inhibitors of interleukin-2 SUNESIS PHARMACEUTICALS, INC. 2003-08-07 US disclosed
WO-2003051797-A2 SMALL-MOLECULE INHIBITORS OF INTERLEUKIN-2 SUNESIS PHARMACEUTICALS, INC. (US) 2003-06-26 WO disclosed
US-5700779-A ALLEVIATING PAIN, ASTHMA, INFLAMMATION, CEREBRAL EDEMA, CARDIOVASCULAR DYSFUNCTION CORTECH, INC. (US) 1997-12-23 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-20030149049-A1 Small-molecule inhibitors of interleukin-2 IL2, IL2RA, HLA-DRB1 MME 1639/4885ITGB3 2700/4885ITGA2B 812/4885

“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.