SCHEMBL677702

SCHEMBL677702

CNCC(=O)NCC(C)(F)F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL678153 0.84 LMNA (0.40) CA1CA2
SCHEMBL15715425 0.82 CA1 (0.36) CA1CA2
SCHEMBL5463077 0.77 PGK1 (0.32) PGK1PGK2
SCHEMBL26324598 0.76 CACNA1H (0.33) CA1CA2PGK1PGK2
SCHEMBL23465643 0.75 TDP1 (0.42) CA1CA2
SCHEMBL8907487 0.72 CA1 (0.34) CA1CA2
SCHEMBL6729569 0.72
SCHEMBL6729565 0.72
SCHEMBL14970370 0.72
SCHEMBL13311543 0.71 CA1 (0.46) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180007904-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2018-01-11 US disclosed
US-9770029-B2 Pesticidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2017-09-26 US disclosed
US-20170042156-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2017-02-16 US disclosed
US-20140087943-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2014-03-27 US disclosed
US-8563474-B2 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2013-10-22 US disclosed
US-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II BASF SE (DE) 2011-06-30 US disclosed
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2011-05-19 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 (5 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-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II PRDX1, PRDX2, PRDX5 CA1 287/4885CA2 113/4885PGK1 4314/4885
US-20170042156-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C CA1 895/4885CA2 223/4885PGK1 1739/4885
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I CHRM3, CHRM5, CHRM1 CA1 896/4885CA2 287/4885PGK1 1732/4885
US-20180007904-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C CA1 895/4885CA2 223/4885PGK1 1739/4885
US-20140087943-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C CA1 895/4885CA2 223/4885PGK1 1739/4885

“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.