SCHEMBL6555030

SCHEMBL6555030

COc1cc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)ccc1OCCOc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
ADAMTS4 O75173 1/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL6555072 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6555077 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6556821 0.91 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6554848 0.85 LMNA (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6554738 0.85 KMT2A (0.51) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6556087 0.83 ADRB2 (0.48) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL7155558 0.83 ADRB2 (0.48) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6554951 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6555145 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL13350377 0.81 KMT2A (0.52) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A

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 ALDH1A1 112/4885SMN1; SMN2 1554/4885LMNA 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.