SCHEMBL4803556

SCHEMBL4803556

NC(=O)c1ccc2nc(N)sc2c1.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
F2 P00734 3/20 0.41
DRD2 P14416 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL4807315 0.95 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
Trifluoroacetic Acid SCHEMBL4809424 0.95 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL7122981 0.94 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
Trifluoroacetic Acid SCHEMBL6994615 0.90 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5209066 0.84 CYP2D6 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5207728 0.82 NPC1 (0.43) CYP3A4NPC1RAB9AALDH1A1LMNA
SCHEMBL5208349 0.82 F2 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL7432548 0.82 TP53 (0.41) NPC1RAB9AALDH1A1LMNAF2
SCHEMBL6999285 0.81 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5210877 0.80 ADRA2C (0.52) CYP2D6CYP2C9CYP2C19NPC1F2

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 17 patents. 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-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1240154-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-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 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
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US 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-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 CYP3A4 1217/4885CYP2D6 786/4885CYP2C9 1641/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 CYP3A4 1611/4885CYP2D6 1520/4885CYP2C9 1551/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 CYP3A4 856/4885CYP2D6 477/4885CYP2C9 1372/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 CYP3A4 1217/4885CYP2D6 786/4885CYP2C9 1641/4885

“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.