Sugi Predict

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SCHEMBL2431239

SCHEMBL2431239

C=CCCCCN[C@H](C(=O)OC)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 3/20 0.36
▸ USP2 O75604 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ PDF Q9HBH1 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.30
▸ LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL2429929 0.85 MAPT (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL4392139 0.83 ALDH1A1 (0.38) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL27734590 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL731077 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL2426658 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL2045176 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL2047122 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL10278374 0.77 CA1 (0.34) SMN1; SMN2CA1CA2
SCHEMBL10230716 0.76 CA14 (0.33) CA1CA2
SCHEMBL18771504 0.74 ALDH1A1 (0.37) ALDH1A1LMNAMAPTUSP2CYP3A4

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-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 — — US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 — — US disclosed
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 — — EP disclosed
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 — — EP disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 — — US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 — — US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 — — US disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 — — 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 1992/4885LMNA 1334/4885MAPT 4195/4885

“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.