SCHEMBL6554729

SCHEMBL6554729

COc1cc(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCC#Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
KMT2A Q03164 5/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.42
CTSD P07339 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6814877 1.00 CA2 (0.49) CA2KMT2ALMNAPOLBGAA
SCHEMBL6819858 0.92 CA2 (0.49) CA2KMT2ALMNAMEN1
SCHEMBL7610664 0.87 KMT2A (0.43) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL6815934 0.87 CA2 (0.54) CA2KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL6815439 0.85 CA2 (0.55) CA2KMT2ALMNAALDH1A1MEN1
SCHEMBL82268 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL483297 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL22264508 0.85 CNR1 (0.47) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL29419083 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL157178 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135368-B1 ALPHA-SULFIN- AND ALPHA-SULFON-AMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-25 EP disclosed
US-6538016-B2 For controlling and preventing an infestation of crop plants by phytopathogenic microorganisms, preferably fungi SYNGENTA PARTICIPATIONS AG (CH) 2003-03-25 US disclosed
US-20020082452-A1 alpha-sulfin-and alpha-sulfonamino acid amides SYNGENTA PARTICIPATIONS AG (CH) 2002-06-27 US disclosed
EP-1135368-A2 ALPHA-SULFIN- AND ALPHA-SULFON-AMINO ACID AMIDES Syngenta Participations AG (CH) 2001-09-26 EP disclosed
WO-2000032568-A2 $G(A)-SULFIN- AND $G(A)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-06-08 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-20020082452-A1 alpha-sulfin-and alpha-sulfonamino acid amides SULT1A1, CBR1, SULT2A1 CA2 440/4885KMT2A 2647/4885LMNA 2593/4885

“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.