SCHEMBL30185162

SCHEMBL30185162

COC(=O)c1nc(-c2cc3c(cc2F)OC(F)(F)O3)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.41
ORAI1 Q96D31 3/20 0.41
ORAI2 Q96SN7 1/20 0.41
CSNK1E P49674 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ALPL P05186 4/20 0.35
NOTUM Q6P988 2/20 0.34
P2RX7 Q99572 2/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL24986812 1.00 STIM1 (0.41) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL24987912 0.91 STIM1 (0.44) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL30185317 0.91 STIM1 (0.44) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL30185104 0.88 CSNK1E (0.38) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL24986650 0.88 CSNK1E (0.38) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL24987929 0.83 STIM1 (0.37) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL30185236 0.83 STIM1 (0.37) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL24985366 0.83 KDM4E (0.42) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL24984408 0.83 STIM1 (0.39) STIM1ORAI1ORAI2CSNK1EKDM4E
SCHEMBL30185300 0.83 STIM1 (0.39) STIM1ORAI1ORAI2CSNK1EKDM4E

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 STIM1 3677/4885ORAI1 3850/4885ORAI2 2775/4885

“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.