SCHEMBL22017884

SCHEMBL22017884

C[S+]([O-])CCNC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
FOLH1 Q04609 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24145636 0.89 MAPK1 (0.34) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL22018316 0.83 MAPK1 (0.38) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL22018099 0.81 MAPK1 (0.35) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL22018304 0.80 GABRA5 (0.39) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL22017885 0.80 CA1 (0.38) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL22018315 0.79 MEN1 (0.34) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL24145392 0.79 CA1 (0.37) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL22018688 0.79 MAPK1 (0.37) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL22018692 0.79 MAPK1 (0.37) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL22018297 0.79 BAZ2B (0.39) CA2KDM4EHPGDPOLBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403435-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-30 US disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 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-20210403435-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 MAPK1 2679/4885CA1 1041/4885CA2 605/4885

“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.