SCHEMBL4837137

SCHEMBL4837137

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
FFAR1 O14842 2/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
ABCB1 P08183 1/20 0.37
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
F2 P00734 1/20 0.36
CNR2 P34972 1/20 0.36
GSK3B P49841 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MCHR1 Q99705 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL10892391 0.82 ALDH1A1 (0.41) F2
SCHEMBL1008386 0.81 PDK1 (0.40) FFAR1KCNN4KCNA5ABCB1CNR2
SCHEMBL219603 0.81 SMN1; SMN2 (0.49) F2
SCHEMBL2919371 0.81 MTNR1A (0.40) F2CTSBCTSS
SCHEMBL4832488 0.81 HDAC1 (0.48)
SCHEMBL20400038 0.81 BCL2A1 (0.44) F2CTSL
SCHEMBL4499074 0.79 LTB4R2 (0.45) F2
SCHEMBL1008388 0.78 PDK1 (0.38) FFAR1KCNN4KCNA5FFAR4CNR2
SCHEMBL4844674 0.78 CASR (0.44)
SCHEMBL9899757 0.77 PDK1 (0.42) KCNN4KCNA5CNR2GSK3BPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 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 (8 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 MAOB 1229/4885FFAR1 3059/4885KCNN4 3780/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN MAOB 947/4885FFAR1 3514/4885KCNN4 3011/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAOB 674/4885FFAR1 2805/4885KCNN4 2886/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 MAOB 525/4885FFAR1 3551/4885KCNN4 2607/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAOB 674/4885FFAR1 2805/4885KCNN4 2886/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAOB 674/4885FFAR1 2805/4885KCNN4 2886/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAOB 674/4885FFAR1 2805/4885KCNN4 2886/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAOB 674/4885FFAR1 2805/4885KCNN4 2886/4885

“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.