Benzene

Benzene

SCHEMBL1470009

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
PRSS3 P35030 1/20 0.40
HTR6 P50406 1/20 0.35
TP53 P04637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA5A P35218 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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 SCHEMBL11412675 0.87 TDP1 (0.40) TSHRTDP1FAAHPRSS1PRSS2
Hydrogen Peroxide SCHEMBL28379963 0.82
SCHEMBL106433 0.82
SCHEMBL3808233 0.82
Benzene SCHEMBL2887752 0.80 TSHR (0.73) TSHRTDP1FAAHPRSS1PRSS2
Benzene SCHEMBL17784484 0.80 CA1 (0.42) TSHRTDP1FAAHPRSS1PRSS2
Biphenyl SCHEMBL22558772 0.78 ALDH1A1 (0.60) TDP1FAAHPRSS1PRSS2ELANE
Pyridine SCHEMBL5839188 0.78 NAPRT (0.60) TSHRTDP1FAAHPRSS1PRSS2
Hydrochloric Acid SCHEMBL25173719 0.76
SCHEMBL4412627 0.76

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153836-B Preparation and application of potassium decafluoro-4- (pentafluoroethyl) cyclohexyl-1-sulfonate 中船(邯郸)派瑞特种气体股份有限公司 2022-03-25 CN claimed
CN-111153836-A Preparation and application of potassium decafluoro-4- (pentafluoroethyl) cyclohexyl-1-sulfonate 中船重工(邯郸)派瑞特种气体有限公司 2020-05-15 CN claimed
CN-102869360-A Pharmaceutical compositions and methods for treating hypertension TSH BIOPHARM COMPANY LTD 2013-01-09 CN claimed
US-4886629-A Process for the preparation of fluorinated benzene sulfonyl fluorides ALLIED-SIGNAL INC. (US) 1989-12-12 US claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
CN-119876163-A Nucleoside monomer containing exogenous functional group chemical modification and covalent nucleic acid aptamer containing nucleoside monomer 浙江工业大学 2025-04-25 CN disclosed
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol BROWN DENNIS (US) 2025-01-14 US disclosed
US-20240307372-A1 COMPOSITIONS AND METHODS TO IMPROVE BENEFIT OF SUBOPTIMALLY ADMINISTERED THERAPEUCTICS FOR THE TREATMENT OF BENIGN AND NEOPLASTIC DISEASES, INFECTIONS, INFLAMMATORY, METABOLIC AND IMMUNOLOGIAL DISEASES Escend Pharmaceuticals, Inc. 2024-09-19 US disclosed
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed
US-6043368-A Method of making thieno-pyridine derivatives POLI INDUSTRIA CHIMICA, S.P.A. (IT) 2000-03-28 US disclosed
EP-0829482-A2 Method of making thieno-pyridine derivatives Poli Industria Chimica S.p.A. (IT) 1998-03-18 EP disclosed
US-4886629-A Process for the preparation of fluorinated benzene sulfonyl fluorides ALLIED-SIGNAL INC. (US) 1989-12-12 US disclosed
US-4886629-A Process for the preparation of fluorinated benzene sulfonyl fluorides ALLIED-SIGNAL INC. (US) 1989-12-12 US disclosed
US-4128586-A Catalytic reduction of aromatic sulfonyl halides with hydrogen sulfide to yield aromatic thiols ALLIED CHEMICAL CORPORATION (US) 1978-12-05 US disclosed
US-4127580-A MULTISTAGE PARCOR (FR) 1978-11-28 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 (6 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT TSHR 4307/4885TDP1 201/4885FAAH 3560/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT TSHR 4307/4885TDP1 201/4885FAAH 3560/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT TSHR 4307/4885TDP1 201/4885FAAH 3560/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT TSHR 4307/4885TDP1 201/4885FAAH 3560/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 TSHR 3611/4885TDP1 4520/4885FAAH 3198/4885
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol HEXD, DDOST, PAICS TSHR 4583/4885TDP1 1281/4885FAAH 2315/4885

“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.