SCHEMBL3251581

SCHEMBL3251581

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ GRK2 P25098 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSD P07339 2/20 0.43

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
SCHEMBL3251942 1.00 MAPT (0.49) MAPTALDH1A1POLBGRK2CA12
SCHEMBL3257589 1.00 MAPT (0.49) MAPTALDH1A1POLBGRK2CA12
SCHEMBL3256831 0.91 CTSD (0.52) MAPTALDH1A1SMN1; SMN2CTSD
SCHEMBL3253330 0.91 CTSD (0.52) MAPTALDH1A1SMN1; SMN2CTSD
SCHEMBL3251828 0.91 LMNA (0.55) MAPTALDH1A1POLBCA12CA1
SCHEMBL3253339 0.91 CTSD (0.52) MAPTALDH1A1SMN1; SMN2CTSD
SCHEMBL3245973 0.90 KMT2A (0.49) MAPTALDH1A1CA12CA1CA2
SCHEMBL3252008 0.90 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL3248887 0.90 KMT2A (0.49) MAPTALDH1A1CA12CA1CA2
SCHEMBL3252014 0.90 GAA (0.53) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448514-B1 NOVEL ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-05-19 — — EP claimed
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 MAPT 4676/4885ALDH1A1 482/4885POLB 2239/4885

“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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