Sugi Predict

Sugi Predict / Compounds / SCHEMBL2867572

SCHEMBL2867572

SCHEMBL2867572

CC(C)(C)Cc1ccc(F)c(CN)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ LOXL2 Q9Y4K0 3/20 0.34
▸ MAOB P27338 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TAAR1 Q96RJ0 3/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SOAT1 P35610 1/20 0.31
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL18355808 0.81 ESR1 (0.44) ESR1MAOBTHRATHRBSOAT1
SCHEMBL27663597 0.80 LOXL2 (0.48) PARP1LOXL2MAOBTAAR1
SCHEMBL73649 0.78 ESR1 (0.46) ESR1MAOBSLC6A2HTR2ASLC6A4
SCHEMBL2877039 0.78 ESR1 (0.39) ESR1LOXL2TAAR1THRATHRB
Hydrochloric Acid SCHEMBL11681120 0.76 ESR1 (0.47) ESR1SLC6A2SLC6A3BACE1TAAR1
SCHEMBL10289724 0.76 ESR1 (0.36) ESR1BACE1TAAR1
SCHEMBL23790349 0.75 ESR1 (0.43) ESR1THRATHRBSOAT1IDO1
SCHEMBL2386178 0.75 CYP4F2 (0.43) PARP1LOXL2MAOBSLC6A2SLC6A4
SCHEMBL1912754 0.75 ESR1 (0.43) ESR1SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL27709378 0.75 PARP1 (0.44) PARP1LOXL2MAOBPTGDRBACE1

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 15 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-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-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 — — 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-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl 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-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE 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 (6 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 ESR1 4516/4885PARP1 1180/4885LOXL2 2415/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ESR1 3735/4885PARP1 1061/4885LOXL2 3694/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE ESR1 4760/4885PARP1 1068/4885LOXL2 2563/4885
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP ESR1 4611/4885PARP1 2028/4885LOXL2 2207/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP ESR1 3735/4885PARP1 1061/4885LOXL2 3694/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ESR1 3735/4885PARP1 1061/4885LOXL2 3694/4885

“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.