Isoxaben

Isoxaben

SCHEMBL6428745

CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1.CN(C)C(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAF1 P04049 12/20 0.41
BRAF P15056 9/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38

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
Isoxaben SCHEMBL9706966 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19RAF1BRAF
Isoxaben SCHEMBL8539623 0.86 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19RAF1BRAF
Isoxaben SCHEMBL54432 0.86 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19RAF1BRAF
Isoxaben SCHEMBL9713018 0.85 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19RAF1BRAF
Isoxaben SCHEMBL10534875 0.84 RAF1 (0.36) RAF1BRAF
Isoxaben SCHEMBL9715108 0.84 RAF1 (0.36) RAF1BRAF
Isoxaben SCHEMBL9270606 0.82 RAF1 (0.33) CYP1A2CYP3A4CYP2C19RAF1BRAF
Isoxaben SCHEMBL8339490 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19RAF1BRAF
SCHEMBL16589802 0.80 TAS1R3 (0.51) CYP1A2CYP3A4CYP2C19RAF1BRAF
SCHEMBL9713569 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961273-A1 SYNERGIC HERBICIDE COMPOSITIONS Arysta Lifescience (FR) 2016-01-06 EP claimed
WO-2014131958-A1 SYNERGIC HERBICIDE COMPOSITIONS ARYSTA LIFESCIENCE (FR) 2014-09-04 WO claimed
US-20050250647-A1 Herbicide combination BAYER CROPSCIENCE GMBH (DE) 2005-11-10 US claimed
WO-2004067527-A1 THIOPHENE DERIVATIVES AS MICROBICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-08-12 WO disclosed
CN-1046280-C Novel thiophenesulfonylurea derivative and herbicidal composition containing the same KOREA RES INST CHEM TECH (KR) 1999-11-10 CN disclosed
CN-1134701-A Novel thiophenesulfonylurea derivatives and herbicidal compositions containing the same KOREA RES INST CHEM TECH (KR) 1996-10-30 CN 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-20050250647-A1 Herbicide combination DDT, MSRB3, MTX2 CYP1A2 25/4885CYP3A4 151/4885CYP2C19 487/4885

“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.