SCHEMBL4844674

SCHEMBL4844674

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
TSHR P16473 1/20 0.41
SLC7A5 Q01650 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.38
CETP P11597 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL15789270 0.85 NR1H4 (0.51) CASRLOXL2NR1H4CYP4F2CYP4A11
SCHEMBL1624051 0.84 NOTUM (0.47) LOXL2TSHRRAB9AALDH1A1KDM4E
SCHEMBL10892391 0.82 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL219603 0.81 SMN1; SMN2 (0.49) TSHRALDH1A1SMN1; SMN2
SCHEMBL2919371 0.81 MTNR1A (0.40) ALDH1A1KDM4E
SCHEMBL4832488 0.81 HDAC1 (0.48)
SCHEMBL20400038 0.81 BCL2A1 (0.44) RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2685272 0.80 BRD4 (0.48) CASRLOXL2CYP4F2CYP4A11TSHR
SCHEMBL4499074 0.79 LTB4R2 (0.45) ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4837137 0.78 MAOB (0.40)

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-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-1289950-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 CASR 2544/4885LOXL2 23/4885NR1H4 3373/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN CASR 3840/4885LOXL2 78/4885NR1H4 4205/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CASR 4345/4885LOXL2 62/4885NR1H4 3861/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 CASR 3998/4885LOXL2 41/4885NR1H4 3858/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CASR 4345/4885LOXL2 62/4885NR1H4 3861/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CASR 4345/4885LOXL2 62/4885NR1H4 3861/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CASR 4345/4885LOXL2 62/4885NR1H4 3861/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CASR 4345/4885LOXL2 62/4885NR1H4 3861/4885

“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.