SCHEMBL5210889

SCHEMBL5210889

CC(C)(C)OC(=O)NCc1ccc(N(CC(=O)O)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1.NC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC1 Q13547 2/20 0.39
MAPK14 Q16539 1/20 0.39
F2 P00734 2/20 0.37
NAMPT P43490 2/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 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
SCHEMBL5210913 0.98 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
SCHEMBL5210074 0.96 RXRB (0.38) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
SCHEMBL5216930 0.95 RAB9A (0.37) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
Trifluoroacetic Acid SCHEMBL4807978 0.92 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
SCHEMBL4809512 0.85 ENPP2 (0.36) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
SCHEMBL7429016 0.85 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
SCHEMBL5209136 0.84 HDAC1 (0.38) HDAC1F2NAMPTROCK2PRKCE
SCHEMBL5212934 0.84 HDAC1 (0.37) HDAC1F2NAMPTROCK2PRKCE
SCHEMBL7430527 0.83 PDK1 (0.34) NPC1RAB9ASMN1; SMN2KDM4EHDAC1
SCHEMBL7430920 0.83 PDK1 (0.34) NPC1RAB9ASMN1; SMN2HDAC1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US 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 NPC1 3113/4885RAB9A 2685/4885SMN1; SMN2 3725/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 NPC1 1831/4885RAB9A 2314/4885SMN1; SMN2 3761/4885

“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.