SCHEMBL4809512

SCHEMBL4809512

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2csc(N)n2)c1.NC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
MAPK14 Q16539 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 6/20 0.33
GLS O94925 2/20 0.33
TRPC6 Q9Y210 1/20 0.33
GRM2 Q14416 1/20 0.32
HDAC1 Q13547 1/20 0.32
BRD4 O60885 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL5210913 0.86 NPC1 (0.39) MAPK14KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5210889 0.85 NPC1 (0.40) MAPK14KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5210074 0.85 RXRB (0.38) MAPK14KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4806911 0.84 MEN1 (0.36) ENPP2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL5216930 0.83 RAB9A (0.37) MAPK14KDM4ENPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4807978 0.83 NPC1 (0.37) MAPK14KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4812628 0.76 GPR119 (0.42) KDM4ENPC1RAB9A
SCHEMBL7127489 0.76 MEN1 (0.37) ENPP2MAPK14KDM4ENPC1RAB9A
Trifluoroacetic Acid SCHEMBL4809310 0.76 MEN1 (0.35) ENPP2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL5209066 0.75 CYP2D6 (0.49) ENPP2NPC1RAB9AGLS

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
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 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-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-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 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 (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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 ENPP2 193/4885MAPK14 3700/4885KDM4E 3323/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ENPP2 121/4885MAPK14 3086/4885KDM4E 2460/4885

“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.