SCHEMBL6553300

SCHEMBL6553300

COc1cc(CCNC(=O)C(N)C(C)C)ccc1OCCCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CNR1 P21554 1/20 0.53
CTSD P07339 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
REN P00797 1/20 0.49
ADRB2 P07550 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL6553291 1.00 GAA (0.54) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL8378142 0.85 LMNA (0.62) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6955675 0.85 LMNA (0.62) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6555206 0.84 GAA (0.50) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6555212 0.84 GAA (0.50) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6553795 0.84 KMT2A (0.51) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6556106 0.84 GAA (0.50) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL7614683 0.84 GAA (0.50) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL7155056 0.80 GAA (0.50) GAAALDH1A1CNR1MEN1KMT2A
SCHEMBL7155057 0.80 GAA (0.50) GAAALDH1A1CNR1MEN1KMT2A

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-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
EP-1135369-A2 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2001-09-26 EP disclosed
WO-2000032569-A2 ALPHA-SULFIN- AND ALPHA-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-20020099241-A1 For use in protecting plants against infestation by phytopathogenic microorganisms CBR1, CBR3, MSR1 GAA 3989/4885ALDH1A1 619/4885CNR1 8/4885

“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.