SCHEMBL24985333

SCHEMBL24985333

CC(C)c1c(Cl)cc(C(F)(F)F)cc1[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.39
GABRA2 P47869 4/20 0.34
GABRB2 P47870 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRB3 P28472 4/20 0.30
MAPK1 P28482 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30

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
SCHEMBL8737614 0.80 PDE2A (0.50) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL15958518 0.73 PDE2A (0.44) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL21139491 0.73 PDE2A (0.44) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL24986404 0.72 PDE2A (0.43) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL24986405 0.72 PDE2A (0.43) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL24985335 0.69 PDE2A (0.41) PDE2AGABRA2GABRB2SMN1; SMN2GABRB3
SCHEMBL24986389 0.69 PDE2A (0.41) PDE2AGABRA2GABRB2ALDH1A1KDM4E
SCHEMBL171146 0.69 CYP3A4 (0.62) ALDH1A1KMT2ACYP3A4HPGDALOX15
SCHEMBL8561738 0.69 PDE2A (0.61) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL13748819 0.68 AR (0.47) PDE2AGABRA2GABRB2SMN1; SMN2ALDH1A1

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT PDE2A 2216/4885GABRA2 576/4885GABRB2 390/4885

“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.