SCHEMBL6553795

SCHEMBL6553795

COc1cc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)ccc1OCCCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.48
CNR1 P21554 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CTSD P07339 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13350377 0.95 KMT2A (0.52) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6554738 0.92 KMT2A (0.51) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6557101 0.90 KMT2A (0.49) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13350353 0.87 KMT2A (0.51) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL7157119 0.87 GAA (0.52) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL157178 0.85 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL29419083 0.85 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL483297 0.85 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL82268 0.85 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6554848 0.85 LMNA (0.46) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135369-B1 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-25 EP disclosed
US-6538159-B2 For use in protecting plants against infestation by phytopathogenic microorganisms SYNGENTA PARTICIPATIONS AG (CH) 2003-03-25 US disclosed
US-20020099241-A1 For use in protecting plants against infestation by phytopathogenic microorganisms SYNGENTA PARTICIPATIONS AG (CH) 2002-07-25 US 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-20020099241-A1 For use in protecting plants against infestation by phytopathogenic microorganisms CBR1, CBR3, MSR1 KMT2A 2523/4885MEN1 2752/4885GAA 3989/4885

“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.