Sugi Predict

Sugi Predict / Compounds / SCHEMBL2876191

SCHEMBL2876191

SCHEMBL2876191

CC(C)(C)Cc1ccc2c(c1)C(=O)CCN2C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SRD5A1 P18405 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ CTRB1 P17538 1/20 0.40
▸ PTGDR2 Q9Y5Y4 9/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MGAT2 Q10469 1/20 0.37

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
SCHEMBL3182929 0.88 NPC1 (0.56) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL5731072 0.83 LMNA (0.40) RAB9AL3MBTL1SMN1; SMN2GAASRD5A1
SCHEMBL3167334 0.82 RAB9A (0.57) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8276286 0.82 L3MBTL1 (0.57) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL983021 0.81 RAB9A (0.69) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2877449 0.79 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2877447 0.79 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL5714049 0.79 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2877614 0.78 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2867493 0.78 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2GAA

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 39 patents — showing the first 20. 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-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO 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-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-2005087751-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
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 — — WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 — — US 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 (4 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP NPC1 1553/4885RAB9A 3269/4885L3MBTL1 1660/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885L3MBTL1 760/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP NPC1 1381/4885RAB9A 2778/4885L3MBTL1 1656/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885L3MBTL1 760/4885

“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.