SCHEMBL1548828

SCHEMBL1548828

C#CCOc1ccc(CCNC(=O)[C@H](O)CCc2ccc(Cl)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ CNR1 P21554 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CTSD P07339 3/20 0.48
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL1548415 1.00 GAA (0.53) GAAALDH1A1CNR1KMT2AMEN1
SCHEMBL1548413 1.00 GAA (0.53) GAAALDH1A1CNR1KMT2AMEN1
SCHEMBL3252008 0.91 GAA (0.53) GAAALDH1A1CNR1KMT2AMEN1
SCHEMBL3252014 0.91 GAA (0.53) GAAALDH1A1CNR1KMT2AMEN1
SCHEMBL1548628 0.91 LMNA (0.54) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL1548630 0.91 LMNA (0.54) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL1549160 0.91 LMNA (0.54) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL1549223 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CTSDTP53
SCHEMBL1549196 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CTSDTP53
SCHEMBL1548690 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CTSDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444196-B1 ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-18 — — EP claimed
US-7601674-B2 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2009-10-13 — — US claimed
US-20050020450-A1 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. 2005-01-27 — — US claimed
EP-1444196-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 — — EP claimed
WO-2003042167-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — WO claimed
EP-1444196-B1 ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-18 — — EP disclosed
EP-2314568-A2 Novel alpha-oxygenated or alpha-thiolated carboxylic acid phenethylamide derivatives Syngenta Participations AG (CH) 2011-04-27 — — EP disclosed
US-7601674-B2 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2009-10-13 — — US disclosed
US-20050020450-A1 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. 2005-01-27 — — US disclosed
EP-1444196-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 — — EP disclosed
WO-2003042167-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — 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-20050020450-A1 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi CBR3, CBR1, MSR1 GAA 3198/4885ALDH1A1 2297/4885CNR1 190/4885

“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.

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