SCHEMBL5204542

SCHEMBL5204542

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.NC(=O)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 3/20 0.39
GLS O94925 2/20 0.39
LIPG Q9Y5X9 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM2 Q14416 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
ACACB O00763 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACACA Q13085 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6990072 0.95 L3MBTL1 (0.42) L3MBTL1F2GLSLIPGBRD4
SCHEMBL5209066 0.85 CYP2D6 (0.49) F2GLSLIPGALDH1A1LMNA
SCHEMBL5214004 0.85 HDAC1 (0.45) GLSBRD4
SCHEMBL5207728 0.83 NPC1 (0.43) L3MBTL1F2ALDH1A1LMNASIRT2
Trifluoroacetic Acid SCHEMBL5211180 0.80 NPC1 (0.39) L3MBTL1F2ALDH1A1LMNASIRT2
SCHEMBL6996710 0.78 NPC1 (0.43) L3MBTL1F2ALDH1A1LMNANPSR1
SCHEMBL5207716 0.77 MEN1 (0.37) GLSALDH1A1LMNAPOLBRAB9A
SCHEMBL7432548 0.76 TP53 (0.41) F2LIPGALDH1A1LMNAPOLB
SCHEMBL5209136 0.76 HDAC1 (0.38) F2GLSBRD4
SCHEMBL5626868 0.76 GLS (0.36) F2GLSBRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (2 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 L3MBTL1 625/4885F2 69/4885GLS 1644/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 L3MBTL1 896/4885F2 122/4885GLS 2989/4885

“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.