SCHEMBL8312981

SCHEMBL8312981

CC(C)C(C(=O)O)n1cccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CTRC Q99895 6/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ MAOB P27338 1/20 0.43
▸ IL1RN P18510 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43

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
SCHEMBL952097 0.88 NPC1 (0.55) ELANENPC1RAB9ACTRCCASP3
SCHEMBL23835788 0.88 NPC1 (0.58) ELANENPC1RAB9ACTRCCASP3
SCHEMBL1039441 0.85 NPC1 (0.54) ELANENPC1RAB9ACTRCCASP3
SCHEMBL1039440 0.85 NPC1 (0.54) ELANENPC1RAB9ACTRCCASP3
SCHEMBL4902533 0.84 NPC1 (0.53) ELANENPC1RAB9ACASP3MAOB
SCHEMBL12273254 0.84 NPC1 (0.53) ELANENPC1RAB9ACASP3MAOB
SCHEMBL27691482 0.83 NPC1 (0.51) ELANENPC1RAB9ACASP3MAOB
SCHEMBL27691483 0.83 NPC1 (0.51) ELANENPC1RAB9ACASP3MAOB
SCHEMBL8646687 0.79 NPC1 (0.62) ELANENPC1RAB9ACTRCCASP3
SCHEMBL8309719 0.79 ELANE (0.46) ELANECTRCCASP3

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
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 — — US disclosed
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 — — US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 — — US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 — — US disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 — — 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-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF ACE, ACE2, TMPRSS2 ELANE 242/4885NPC1 649/4885RAB9A 2815/4885

“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.

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