SCHEMBL6555212

SCHEMBL6555212

COc1cc(CCNC(=O)[C@@H](N)C(C)C)ccc1OCC=Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CNR1 P21554 1/20 0.48
CTSD P07339 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.46
TRPM5 Q9NZQ8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL6556106 1.00 GAA (0.50) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6555206 1.00 GAA (0.50) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6556885 0.85 KMT2A (0.47) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6556888 0.85 KMT2A (0.47) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6556876 0.85 KMT2A (0.47) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6553300 0.84 GAA (0.54) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6553291 0.84 GAA (0.54) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL6554814 0.83 CA2 (0.49) GAAALDH1A1CNR1CTSDMEN1
SCHEMBL8378142 0.81 LMNA (0.62) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL6955675 0.81 LMNA (0.62) GAAALDH1A1MEN1KMT2AMAPT

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 GAA 2769/4885ALDH1A1 112/4885CNR1 30/4885

“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.