SCHEMBL6207531

SCHEMBL6207531

COc1ccc(C(NC(=O)C(C)C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 2/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ACACB O00763 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
RXRA P19793 1/20 0.48

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
SCHEMBL6207483 0.90 CTSS (0.52) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL6540335 0.88 RAB9A (0.52) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL6258849 0.88 RAB9A (0.52) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL6539605 0.85 RAB9A (0.49) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL6207300 0.81 RAB9A (0.58) NPC1POLBRAB9ASMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL6207459 0.80 RAB9A (0.57) NPC1POLBRAB9ASMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL6210482 0.80 RAB9A (0.57) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL6208081 0.80 RAB9A (0.59) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL6207298 0.80 RAB9A (0.59) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL5082300 0.80 NPC1 (0.53) NPC1POLBRAB9ASMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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 (1 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 NPC1 1686/4885POLB 2793/4885RAB9A 4006/4885

“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.