SCHEMBL22018308

SCHEMBL22018308

CC(CS(C)(=O)=O)NC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
P4HTM Q9NXG6 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL22018301 0.86 HDAC4 (0.39) LMNARAB9AHPGDALDH1A1MEN1
SCHEMBL22018320 0.83 HPGD (0.46) LMNARAB9ANPC1HPGDALDH1A1
SCHEMBL22336364 0.82 CA2 (0.40) CA2CA1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL22322614 0.81 CA2 (0.39) LMNACA2CA1HPGDCA12
SCHEMBL22322613 0.80 LMNA (0.35) LMNACA2CA1HPGDHTT
SCHEMBL22018100 0.79 KDM4E (0.32) LMNACA2CA1HPGDKDM4E
SCHEMBL22322562 0.79 NPC1 (0.38) LMNACA2CA1RAB9ANPC1
SCHEMBL22017885 0.79 CA1 (0.38) CA2CA1HPGDALDH1A1KDM4E
SCHEMBL22018297 0.78 BAZ2B (0.39) CA2HPGDHTTSMN1; SMN2KDM4E
SCHEMBL22018099 0.75 MAPK1 (0.35) LMNAHPGDMEN1KMT2AKDM4E

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 LMNA 3801/4885CA2 605/4885CA1 1041/4885

“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.