SCHEMBL6556087

SCHEMBL6556087

CCS(=O)(=O)N[C@H](C(=O)NCCc1ccc(OCCOc2cccc(C)c2)c(OC)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.45
PTGER1 P34995 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7155558 1.00 ADRB2 (0.48) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL6555077 0.91 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6555072 0.91 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6555074 0.91 KMT2A (0.57) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6555083 0.91 KMT2A (0.57) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6555032 0.86 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6555027 0.86 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6554951 0.86 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6555145 0.86 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6556788 0.84 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2KMT2AMAPT

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 ADRB2 1044/4885ADRB1 555/4885HTR1A 585/4885

“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.