Sugi Predict

Sugi Predict / Compounds / SCHEMBL2898014

SCHEMBL2898014

SCHEMBL2898014

COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.48
▸ AKT1 P31749 3/20 0.48
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ CTSS P25774 3/20 0.44
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ SYK P43405 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CTSK P43235 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL2898012 1.00 IDO1 (0.48) IDO1AKT1MEN1KMT2ASIGMAR1
SCHEMBL21563240 0.88 AKT1 (0.50) IDO1AKT1MEN1KMT2ASIGMAR1
SCHEMBL19502098 0.82 MEN1 (0.49) AKT1MEN1KMT2ACTSSCTSL
SCHEMBL4187135 0.81 KLK5 (0.49) AKT1MEN1KMT2ACTSSCTSL
SCHEMBL19193081 0.80 MEN1 (0.50) AKT1MEN1KMT2ACTSSCTSL
SCHEMBL3104098 0.79 AKT1 (0.43) IDO1AKT1MEN1KMT2ACTSS
SCHEMBL23039957 0.78 SYK (0.50) AKT1CTSSCTSLCTSBSYK
SCHEMBL15812057 0.78 SYK (0.50) AKT1CTSSCTSLCTSBSYK
SCHEMBL23058748 0.78 SYK (0.50) AKT1CTSSCTSLCTSBSYK
SCHEMBL12606644 0.78 SYK (0.50) AKT1CTSSCTSLCTSBSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049529-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-08-11 — — EP disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 — — US disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 — — US disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 — — US disclosed
EP-2049529-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-04-22 — — EP disclosed
WO-2008008518-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 — — WO disclosed
WO-2008008518-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 — — 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-20090192143-A1 Substituted diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 IDO1 390/4885AKT1 4177/4885MEN1 1250/4885

“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.