SCHEMBL6044831

SCHEMBL6044831

CCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.51
ATM Q13315 1/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
PRTN3 P24158 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSK P43235 4/20 0.49
CASP1 P29466 1/20 0.48
CTRB1 P17538 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6044753 1.00 ELANE (0.51) ELANEATMCTSLCTSBCTSS
SCHEMBL6044757 1.00 ELANE (0.51) ELANEATMCTSLCTSBCTSS
SCHEMBL9937088 0.89 TRPM8 (0.55) ELANEATMCTSLCTSBCTSS
SCHEMBL9937089 0.89 TRPM8 (0.55) ELANEATMCTSLCTSBCTSS
SCHEMBL18045644 0.88 CTSL (0.50) ELANEATMCTSLCTSBCTSS
SCHEMBL18045645 0.88 CTSL (0.50) ELANEATMCTSLCTSBCTSS
SCHEMBL13300765 0.87 ATM (0.49) ATMCTSLCTSBCTSSTRPM8
SCHEMBL3333997 0.87 TRPM8 (0.51) ATMCTSLCTSBCTSSTRPM8
SCHEMBL3329316 0.87 ATM (0.49) ATMCTSLCTSBCTSSTRPM8
SCHEMBL27782428 0.87 ATM (0.49) ATMCTSLCTSBCTSSTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 ELANE 1129/4885ATM 2372/4885CTSL 1366/4885

“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.