SCHEMBL11913397

SCHEMBL11913397

C=CC(C)(C)CNc1nc(-c2ccc(Cl)c(OC)c2F)nc(C(=O)OC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.35
▸ ACLY P53396 2/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ ALPL P05186 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
SCHEMBL1656975 0.87 MEN1 (0.37) MEP1BACLYTAS1R3TAS1R1
SCHEMBL1654721 0.80 CYP1A2 (0.43) —
SCHEMBL11902557 0.80 MEP1B (0.34) MEP1BACLYTAS1R3TAS1R1
SCHEMBL1611059 0.80 CRHR1 (0.39) MEP1BTAS1R3TAS1R1
SCHEMBL2682965 0.79 SMN1; SMN2 (0.40) MEP1BACLYTAS1R3TAS1R1
SCHEMBL117789 0.78 TAS1R3 (0.40) MEP1BACLYTAS1R3TAS1R1ALPL
SCHEMBL1610214 0.77 MAPK1 (0.35) MEP1B
SCHEMBL1610274 0.77 ALDH1A1 (0.42) —
SCHEMBL716664 0.77 TAS1R3 (0.38) MEP1BACLYTAS1R3TAS1R1ALPL
SCHEMBL1114950 0.77 TAS1R3 (0.38) MEP1BACLYTAS1R3TAS1R1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO MEP1B 2906/4885ACLY 537/4885TAS1R3 4361/4885

“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.

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