SCHEMBL6556807

SCHEMBL6556807

COc1cc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47
JUN P05412 1/20 0.47
NR3C1 P04150 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
TYR P14679 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL6553382 0.90 SMN1; SMN2 (0.50) MTNR1AMTNR1BLMNASMN1; SMN2ALOX5
SCHEMBL6553375 0.90 SMN1; SMN2 (0.50) MTNR1AMTNR1BLMNASMN1; SMN2ALOX5
SCHEMBL13350377 0.81 KMT2A (0.52) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8379773 0.81 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13883457 0.81 MTNR1A (0.60) MTNR1AMTNR1BLMNAALOX5OR51E2
SCHEMBL6553795 0.80 KMT2A (0.51) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7156994 0.80 MAPT (0.52) LMNASMN1; SMN2KMT2A
SCHEMBL6555978 0.80 MAPT (0.52) LMNASMN1; SMN2KMT2A
SCHEMBL6554738 0.80 KMT2A (0.51) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6556821 0.80 ALDH1A1 (0.48) LMNASMN1; SMN2MEN1KMT2A

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
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-6482859-B1 Microbicidal N-sulfonylglycin alkynyloxyphenethyl amide derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-19 US disclosed
US-20020082452-A1 alpha-sulfin-and alpha-sulfonamino acid amides SYNGENTA PARTICIPATIONS AG (CH) 2002-06-27 US disclosed
EP-1003719-B1 MICROBICIDAL N-SULFONYLGLYCIN ALKYNYLOXYPHENEMETHYL AMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-06-05 EP 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
EP-1003719-A2 MICROBICIDAL N-SULFONYLGLYCIN ALKYNYLOXYPHENEMETHYL AMIDE DERIVATIVES Novartis AG (CH) 2000-05-31 EP disclosed
WO-1999007674-A2 MICROBICIDAL N-SULFONYLGLYCIN ALKYNYLOXYPHENEMETHYL AMIDE DERIVATIVES NOVARTIS AG (CH) 1999-02-18 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 MTNR1A 139/4885MTNR1B 292/4885LMNA 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.