SCHEMBL4838520

SCHEMBL4838520

COc1ccc(CN(C(=O)OC(C)(C)C)C(C(=O)O)c2cccs2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
POLB P06746 3/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4832703 0.84 KMT2A (0.51) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL15624358 0.75 KMT2A (0.55) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6985101 0.73 MEN1 (0.45) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL31564023 0.73 MEN1 (0.45) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL14343230 0.72 TDP1 (0.41) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL31564035 0.72 KMT2A (0.42) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL4693070 0.72 GSTO1 (0.36) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL16286984 0.71 MEN1 (0.46) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL31564053 0.70 MEN1 (0.40) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL192119 0.70 ALDH1A1 (0.45) KMT2AMEN1POLBALDH1A1KDM4E

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 KMT2A 2452/4885MEN1 3582/4885POLB 2781/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN KMT2A 3428/4885MEN1 1712/4885POLB 3710/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KMT2A 3308/4885MEN1 1959/4885POLB 4543/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 KMT2A 2897/4885MEN1 3220/4885POLB 4589/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KMT2A 3308/4885MEN1 1959/4885POLB 4543/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KMT2A 3308/4885MEN1 1959/4885POLB 4543/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KMT2A 3308/4885MEN1 1959/4885POLB 4543/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KMT2A 3308/4885MEN1 1959/4885POLB 4543/4885

“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.