SCHEMBL3345233

SCHEMBL3345233

CC(C)(C)[C@@H](c1ccc(OCc2ccccc2)cc1)C(OC(N)=O)[C@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
PARP10 Q53GL7 1/20 0.43
KCNH2 Q12809 1/20 0.42
FFAR1 O14842 1/20 0.41
MAOB P27338 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL3345242 1.00 ALOX5 (0.47) ALOX5PRKCAPRKCDPARP10KCNH2
SCHEMBL6246290 0.85 SLC6A3 (0.38)
SCHEMBL464738 0.80 ACACB (0.44) ALOX5PRKCAPRKCDFFAR1MAOB
SCHEMBL13117273 0.72 LMNA (0.51) ALOX5MAOB
SCHEMBL4435910 0.69 ALOX5 (0.58) ALOX5PARP10FFAR1MAOB
SCHEMBL13617902 0.69 BCL2 (0.53) LTA4H
SCHEMBL3291046 0.69 BCL2 (0.53) LTA4H
SCHEMBL471109 0.69 BCL2 (0.53) LTA4H
SCHEMBL6158180 0.69 BCL2 (0.53) LTA4H
SCHEMBL8230963 0.69 BCL2 (0.53) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 EP disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
EP-2069303-A2 ANTIVIRAL PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2009-06-17 EP disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME ALOX5 3112/4885PRKCA 2456/4885PRKCD 3459/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 ALOX5 2984/4885PRKCA 2165/4885PRKCD 3276/4885

“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.