Benzene

Benzene

SCHEMBL2887752

O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.73
TDP1 Q9NUW8 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA2 P00918 3/20 0.40
FAAH O00519 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
ELANE P08246 1/20 0.36
PRTN3 P24158 1/20 0.36
PRSS3 P35030 1/20 0.36
CA1 P00915 2/20 0.36
NT5E P21589 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1938 0.85
SCHEMBL29818845 0.85 TSHR (1.00) TSHRTDP1CA5ACA5BCA2
Benzene SCHEMBL1470009 0.80 TSHR (0.42) TSHRTDP1SMN1; SMN2CA5ACA5B
SCHEMBL6223954 0.80
SCHEMBL7249115 0.80
SCHEMBL6123214 0.80
SCHEMBL8377677 0.80
Lithium SCHEMBL929003 0.80 TSHR (0.89) TSHRTDP1CA5ACA5BCA2
Methane SCHEMBL9362880 0.80
SCHEMBL9193935 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP 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-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 TSHR 122/4885TDP1 3155/4885SMN1; SMN2 2945/4885

“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.