SCHEMBL4837304

SCHEMBL4837304

CSc1ccccc1N(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SLC6A9 P48067 2/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSTO1 P78417 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1644746 0.82 TRPM8 (0.44) TDP1ALDH1A1L3MBTL1CYP2C19HIF1A
SCHEMBL6257485 0.82 AKR1B1 (0.39) TDP1AKT1SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL4832911 0.81 LMNA (0.41) TDP1AKT1ALDH1A1L3MBTL1CYP2C19
SCHEMBL29943820 0.81 BCL2A1 (0.39) TDP1GAASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL2921603 0.81 NPSR1 (0.39) TDP1AKT1SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL4832843 0.81 BCL2A1 (0.39) TDP1GAASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL4841484 0.80 KMT2A (0.43) TDP1SMN1; SMN2NPSR1KMT2A
SCHEMBL4842133 0.80 SMN1; SMN2 (0.38) TDP1SMN1; SMN2L3MBTL1CYP2C19HIF1A
SCHEMBL4832420 0.78 KEAP1 (0.44) TDP1ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL4499651 0.78 POLB (0.43) TDP1ALDH1A1SMN1; SMN2L3MBTL1KMT2A

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 TDP1 1280/4885AKT1 1034/4885ALDH1A1 2408/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN TDP1 949/4885AKT1 1543/4885ALDH1A1 3130/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TDP1 599/4885AKT1 1832/4885ALDH1A1 2261/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 TDP1 1269/4885AKT1 1604/4885ALDH1A1 3720/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TDP1 599/4885AKT1 1832/4885ALDH1A1 2261/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TDP1 599/4885AKT1 1832/4885ALDH1A1 2261/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TDP1 599/4885AKT1 1832/4885ALDH1A1 2261/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TDP1 599/4885AKT1 1832/4885ALDH1A1 2261/4885

“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.