SCHEMBL3252014

SCHEMBL3252014

C#CCOc1ccc(CCNC(=O)C(O)Cc2ccc(Cl)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ CTSD P07339 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CNR1 P21554 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 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
SCHEMBL3254995 1.00 GAA (0.53) GAACTSDALDH1A1CNR1SMN1; SMN2
SCHEMBL3252008 1.00 GAA (0.53) GAACTSDALDH1A1CNR1SMN1; SMN2
SCHEMBL1548413 0.91 GAA (0.53) GAACTSDALDH1A1CNR1SMN1; SMN2
SCHEMBL1548415 0.91 GAA (0.53) GAACTSDALDH1A1CNR1SMN1; SMN2
SCHEMBL1548828 0.91 GAA (0.53) GAACTSDALDH1A1CNR1SMN1; SMN2
SCHEMBL3251828 0.91 LMNA (0.55) GAAALDH1A1LMNAKMT2ATP53
SCHEMBL3253339 0.91 CTSD (0.52) CTSDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3253330 0.91 CTSD (0.52) CTSDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3256831 0.91 CTSD (0.52) CTSDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3248887 0.90 KMT2A (0.49) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 — — US claimed
US-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-17 — — US claimed
EP-1448514-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-25 — — EP claimed
WO-2003042168-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — WO claimed
EP-1448514-B1 NOVEL ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-05-19 — — EP disclosed
US-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 — — US disclosed
US-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-17 — — US disclosed
EP-1448514-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-25 — — EP disclosed
WO-2003042168-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE 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-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives CBR3, CBR1, GLRA1 GAA 3628/4885CTSD 4787/4885ALDH1A1 482/4885

“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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