SCHEMBL6044529

SCHEMBL6044529

COC(=O)C(CC(Cc1ccc(C(C)(C)C)cc1)C(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
PSEN1 P49768 4/20 0.45
PSEN2 P49810 4/20 0.45
APH1B Q8WW43 4/20 0.45
NCSTN Q92542 4/20 0.45
APH1A Q96BI3 4/20 0.45
PSENEN Q9NZ42 4/20 0.45
CTSS P25774 6/20 0.43
CTSK P43235 5/20 0.43
REN P00797 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACE P12821 1/20 0.41
ACACB O00763 2/20 0.40

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
SCHEMBL6044536 1.00 KLK5 (0.45) KLK5MEN1ALDH1A1LMNAKMT2A
SCHEMBL8905018 0.91 REN (0.44) ALDH1A1KMT2ACTSSCTSKREN
SCHEMBL8905013 0.91 REN (0.44) ALDH1A1KMT2ACTSSCTSKREN
SCHEMBL18256512 0.87 MEN1 (0.57) KLK5MEN1ALDH1A1LMNAKMT2A
SCHEMBL6044811 0.82 TP53 (0.46) CTSSCTSKRENCTSLCTSB
SCHEMBL6044618 0.82 TP53 (0.46) CTSSCTSKRENCTSLCTSB
SCHEMBL9955437 0.79 CTSS (0.49) KLK5MEN1ALDH1A1LMNAKMT2A
SCHEMBL9955434 0.79 CTSS (0.49) KLK5MEN1ALDH1A1LMNAKMT2A
SCHEMBL3969369 0.79 MEN1 (0.60) KLK5MEN1ALDH1A1LMNAKMT2A
SCHEMBL3969368 0.79 MEN1 (0.60) KLK5MEN1ALDH1A1LMNAKMT2A

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 6 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
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

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 KLK5 3987/4885MEN1 3795/4885ALDH1A1 276/4885

“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.