SCHEMBL3221372

SCHEMBL3221372

COCC(=O)OCCN(S)C(=O)NC1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL3208894 0.94 ALDH1A1 (0.44) ALDH1A1GAAMAPTUSP2TSHR
SCHEMBL3210493 0.81 ALDH1A1 (0.62) ALDH1A1TSHRKMT2AMEN1TAS1R3
SCHEMBL11746761 0.80 ALDH1A1 (0.64) ALDH1A1TSHRKMT2AMEN1TAS1R3
SCHEMBL3221363 0.79 ALDH1A1 (0.55) ALDH1A1GAAMAPTUSP2TSHR
SCHEMBL11752037 0.77 KMT2A (0.58) ALDH1A1TSHRKMT2AMEN1TAS1R3
SCHEMBL13683335 0.77 ALDH1A1 (0.70) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL3219949 0.76 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1TAS1R3
SCHEMBL3223401 0.75 TAS1R3 (0.41) ALDH1A1MAPTKMT2AMEN1TAS1R3
SCHEMBL3213851 0.74 MEN1 (0.46) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL3210262 0.73 P2RX7 (0.42) ALDH1A1MAPTKMT2AMEN1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP claimed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO claimed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 ALDH1A1 128/4885GAA 645/4885MAPT 1361/4885

“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.