SCHEMBL2456099

SCHEMBL2456099

CN1CCCC[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
CTSK P43235 2/20 0.44
NAAA Q02083 1/20 0.43
NAMPT P43490 2/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
BTK Q06187 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 2/20 0.39

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
SCHEMBL2456097 1.00 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL5637239 1.00 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL2460778 1.00 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL2386997 0.96 F2 (0.48) GAAF2F10PRSS1CTSK
SCHEMBL4097703 0.96 F2 (0.48) GAAF2F10PRSS1CTSK
SCHEMBL2386992 0.96 F2 (0.48) GAAF2F10PRSS1CTSK
SCHEMBL4099515 0.90 GAA (0.49) GAAF2F10PRSS1CTSK
SCHEMBL21887787 0.90 GAA (0.49) GAAF2F10PRSS1CTSK
SCHEMBL2458360 0.90 GAA (0.49) GAAF2F10PRSS1CTSK
SCHEMBL4099514 0.90 GAA (0.49) GAAF2F10PRSS1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2009-06-11 US disclosed
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2009-06-11 US disclosed
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2009-06-11 US disclosed
WO-2007126871-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-11-08 WO 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-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GAA 164/4885F2 1247/4885F10 1787/4885
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPK1, MAPK4, BRIX1 GAA 4242/4885F2 4577/4885F10 3600/4885

“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.