SCHEMBL4808023

SCHEMBL4808023

CC(C)(C)OC(=O)N(CC(=O)O)c1ccccc1.NC(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIK3CA P42336 1/20 0.39
LCK P06239 1/20 0.39
KIT P10721 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL7423044 1.00 CYP2D6 (0.45) CYP2D6NPC1RAB9AALDH1A1LMNA
SCHEMBL5214251 0.93 PAX8 (0.38) CYP2D6NPC1RAB9AALDH1A1LMNA
SCHEMBL5209066 0.82 CYP2D6 (0.49) CYP2D6NPC1RAB9AALDH1A1LMNA
SCHEMBL4803556 0.78 CYP3A4 (0.52) CYP2D6NPC1RAB9AALDH1A1LMNA
SCHEMBL6999285 0.77 CYP3A4 (0.48) CYP2D6NPC1RAB9AALDH1A1LMNA
SCHEMBL7122981 0.76 CYP3A4 (0.52) CYP2D6NPC1RAB9AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL4809424 0.76 CYP3A4 (0.47) CYP2D6NPC1RAB9AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL4807315 0.76 CYP3A4 (0.47) CYP2D6NPC1RAB9AALDH1A1LMNA
SCHEMBL219603 0.75 SMN1; SMN2 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6992189 0.74 CYP2D6 (0.47) CYP2D6NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (4 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 CYP2D6 786/4885NPC1 3113/4885RAB9A 2685/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 CYP2D6 1520/4885NPC1 920/4885RAB9A 3346/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 CYP2D6 477/4885NPC1 1831/4885RAB9A 2314/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 CYP2D6 786/4885NPC1 3113/4885RAB9A 2685/4885

“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.