SCHEMBL6044481

SCHEMBL6044481

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ELANE P08246 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
CTSK P43235 5/20 0.50
PRTN3 P24158 2/20 0.49
CTRB1 P17538 2/20 0.49
CTSS P25774 5/20 0.48
CTSL P07711 4/20 0.48
CTSB P07858 3/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8682643 1.00 ATM (0.52) ATMELANETRPM8CTSKPRTN3
SCHEMBL21085581 0.88 ELANE (0.51) ATMELANETRPM8CTSKPRTN3
SCHEMBL3202235 0.87 ATM (0.56) ATMELANETRPM8CTSKPRTN3
SCHEMBL19859590 0.87 ATM (0.56) ATMELANETRPM8CTSKPRTN3
SCHEMBL9749127 0.87 ATM (0.56) ATMELANETRPM8CTSKPRTN3
SCHEMBL15395673 0.86 ATM (0.54) ATMELANETRPM8CTSKPRTN3
SCHEMBL10559163 0.86 ATM (0.54) ATMELANECTSKPRTN3CTRB1
SCHEMBL9937089 0.85 TRPM8 (0.55) ATMELANETRPM8CTSKPRTN3
SCHEMBL6044396 0.85 PSMB1 (0.58) ATMELANETRPM8CTSKPRTN3
SCHEMBL6044625 0.85 PSMB1 (0.58) ATMELANETRPM8CTSKPRTN3

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 ATM 2372/4885ELANE 1129/4885TRPM8 3993/4885

“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.