SCHEMBL3245967

SCHEMBL3245967

C#CCOc1ccc(CCNC(=O)[C@H](O)Cc2ccc(F)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
TSHR P16473 1/20 0.46
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
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ECE1 P42892 1/20 0.44

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
SCHEMBL3248887 1.00 KMT2A (0.49) KMT2AMEN1ATMADRB2ADRB1
SCHEMBL3245973 1.00 KMT2A (0.49) KMT2AMEN1ATMADRB2ADRB1
SCHEMBL1548595 0.91 KMT2A (0.48) KMT2AMEN1ATMADRB2ADRB1
SCHEMBL1549195 0.91 KMT2A (0.48) KMT2AMEN1ATMADRB2ADRB1
SCHEMBL1548575 0.91 KMT2A (0.48) KMT2AMEN1ATMADRB2ADRB1
SCHEMBL3251828 0.91 LMNA (0.55) KMT2AADRB2ADRB1ADRB3CA12
SCHEMBL3253339 0.91 CTSD (0.52) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL3253330 0.91 CTSD (0.52) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL3256831 0.91 CTSD (0.52) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL3251942 0.90 MAPT (0.49) CA12CA1CA2CA9LMNA

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 KMT2A 1404/4885MEN1 3952/4885ATM 2843/4885

“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.