SCHEMBL21638019

SCHEMBL21638019

CC(C)(C)C(=O)NC1CN(S(C)(=O)=O)C1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL10266067 0.84 ALDH1A1 (0.56) ALDH1A1GAACA12CA1CA2
SCHEMBL14215417 0.82 ALDH1A1 (0.57) ALDH1A1GAACA12CA1CA2
SCHEMBL21813427 0.79 TP53 (0.43) ALDH1A1POLBLMNATP53KMT2A
SCHEMBL16254566 0.79 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL24665327 0.78 ALDH1A1 (0.50) ALDH1A1GAACA12CA1CA2
SCHEMBL15161475 0.77 CTSK (0.49) GAACA1CA2KMT2AEPHX2
SCHEMBL30921417 0.77 ALDH1A1 (0.41) ALDH1A1LMNATP53NPSR1TSHR
SCHEMBL12208908 0.76 ALDH1A1 (0.49) ALDH1A1GAACA12CA1CA2
SCHEMBL21003877 0.76 EPHX2 (0.41) ALDH1A1LMNATP53TSHREPHX1
SCHEMBL24754682 0.74 CA12 (0.39) ALDH1A1GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-10-07 US disclosed
WO-2020018610-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-01-23 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-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PRDX1, CYP4X1, RDX ALDH1A1 1072/4885GAA 2833/4885CA12 4431/4885

“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.