SCHEMBL21385706

SCHEMBL21385706

CCC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ALDH3A1 P30838 2/20 0.47
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
VCAM1 P19320 3/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL8491250 0.85 ALDH3A1 (0.51) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL4358181 0.84 ALDH1A1 (0.46) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL1202449 0.83 ALDH1A1 (0.56) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL18287474 0.83 ALDH3A1 (0.53) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
Hydrogen Peroxide SCHEMBL28991385 0.83 ALDH1A1 (0.56) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL8489315 0.83 ALDH1A1 (0.45) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL366474 0.81 ALDH1A1 (0.51) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL2084156 0.81 ALDH1A1 (0.51) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
Lithium Ion SCHEMBL29035600 0.81 ALDH1A1 (0.51) ALDH1A1ALDH3A1MAPTRAB9AKMT2A
SCHEMBL30595897 0.81 ALDH1A1 (0.51) ALDH1A1ALDH3A1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421714-B2 Process for preparing mesotrione ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (HK) 2019-09-24 US 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-10421714-B2 Process for preparing mesotrione HSD17B7, MSMO1, HSD17B12 ALDH1A1 2529/4885ALDH3A1 1653/4885MAPT 3204/4885

“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.