Benzene

Benzene

SCHEMBL1148166

CCOc1ccc(OCC(C)(NS(C)(=O)=O)C(=O)OC)cc1.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ PAX8 Q06710 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
Benzene SCHEMBL1148212 0.87 PLK1 (0.46) POLBLMNAMEN1KMT2AMAPK1
SCHEMBL1148162 0.85 RAB9A (0.44) MEN1KMT2AMAPK1MAPTSMN1; SMN2
Benzene SCHEMBL1147638 0.85 POLB (0.42) POLBLMNAMEN1KMT2AMAPK1
Benzene SCHEMBL1148221 0.84 POLB (0.39) POLBLMNAMEN1KMT2AMAPK1
Benzene SCHEMBL1148245 0.81 MMP1 (0.39) POLBLMNAMEN1KMT2AMAPK1
Benzene SCHEMBL1148271 0.81 MEN1 (0.47) POLBLMNAMEN1KMT2ASMN1; SMN2
Benzene SCHEMBL1148272 0.79 LMNA (0.47) LMNAMEN1KMT2AHPGDCYP1A2
Benzene SCHEMBL1148142 0.79 CYP1A2 (0.46) POLBMEN1KMT2AMAPTSMN1; SMN2
Benzene SCHEMBL1148101 0.78 FKBP1A (0.51) POLBLMNAMAPTSMN1; SMN2NPC1
Benzene SCHEMBL1148071 0.75 PPARA (0.45) POLBMEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 — — US claimed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 — — US claimed
JP-2007504108-A — — 2007-03-01 — — JP claimed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 — — EP claimed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 — — WO claimed
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 — — US disclosed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 — — US disclosed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 — — EP disclosed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 — — WO 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-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 POLB 4770/4885LMNA 3821/4885MEN1 1928/4885

“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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