SCHEMBL4499651

SCHEMBL4499651

CC(C)(C)OC(=O)N(CC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.41
POLQ O75417 1/20 0.40
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MLYCD O95822 1/20 0.35
KMT2A Q03164 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
SCHEMBL4832911 0.83 LMNA (0.41) POLBLMNATDP1ALDH1A1L3MBTL1
SCHEMBL6257485 0.82 AKR1B1 (0.39) TDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL1644746 0.82 TRPM8 (0.44) POLBLMNATDP1ALDH1A1L3MBTL1
SCHEMBL29943820 0.81 BCL2A1 (0.39) POLBTDP1L3MBTL1MAOBSMN1; SMN2
SCHEMBL2921603 0.81 NPSR1 (0.39) RAB9ATDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL4832843 0.81 BCL2A1 (0.39) POLBTDP1L3MBTL1MAOBSMN1; SMN2
SCHEMBL4842133 0.80 SMN1; SMN2 (0.38) TDP1L3MBTL1SMN1; SMN2
SCHEMBL4841484 0.80 KMT2A (0.43) POLBLMNAMAPTTDP1SMN1; SMN2
SCHEMBL13247486 0.79 CACNA1G (0.37) POLBLMNAMAPTALDH1A1L3MBTL1
SCHEMBL4832420 0.78 KEAP1 (0.44) TDP1ALDH1A1L3MBTL1SMN1; SMN2KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
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
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
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 US disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (7 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 POLB 2781/4885LMNA 904/4885RAB9A 3503/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN POLB 3710/4885LMNA 20/4885RAB9A 2351/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 POLB 4589/4885LMNA 57/4885RAB9A 2886/4885
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B POLB 4652/4885LMNA 2681/4885RAB9A 2970/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885LMNA 70/4885RAB9A 3098/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885LMNA 70/4885RAB9A 3098/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B POLB 4652/4885LMNA 2681/4885RAB9A 2970/4885

“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.