SCHEMBL2876148

SCHEMBL2876148

CC1CCCC(C(=O)OCC[Si](C)(C)C)(c2cccc(C(C)(C)C)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 3/20 0.36
APOBEC3G Q9HC16 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
PRCP P42785 3/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
HTT P42858 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SLC22A1 O15245 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 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
SCHEMBL4263799 0.80 APOBEC3A (0.36) APOBEC3AAPOBEC3GLMNATSHRTDP1
SCHEMBL2875746 0.80 AKR1C1 (0.41) CYP2C9CYP2C19
SCHEMBL2874693 0.79 CTSD (0.33) APOBEC3AAPOBEC3GLMNATSHRTDP1
SCHEMBL2877553 0.69 CYP2C9 (0.42) CYP2C9CYP2C19
SCHEMBL2875154 0.68
SCHEMBL2867480 0.68 CYP2C9 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8283444 0.67 PRCP (0.35) APOBEC3AAPOBEC3GLMNATSHRTDP1
SCHEMBL14893687 0.63 OPRM1 (0.51) LMNATSHRTDP1NPSR1SLC22A1
SCHEMBL2877324 0.61 RXFP1 (0.38) LMNAHTTCYP2C9CYP2C19
SCHEMBL5196883 0.60 APOBEC3A (0.42) APOBEC3AAPOBEC3GLMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 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 (5 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD APOBEC3A 295/4885APOBEC3G 876/4885LMNA 829/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP APOBEC3A 883/4885APOBEC3G 1046/4885LMNA 1166/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE APOBEC3A 1875/4885APOBEC3G 2699/4885LMNA 501/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP APOBEC3A 883/4885APOBEC3G 1046/4885LMNA 1166/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP APOBEC3A 883/4885APOBEC3G 1046/4885LMNA 1166/4885

“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.