SCHEMBL3166376

SCHEMBL3166376

O=C(O)CS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 1/20 0.47
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CYP1A2 P05177 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
BRAF P15056 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL28357735 0.84 LOXL2 (0.57) HTTALDH1A1CYP2C19TSHRCA2
SCHEMBL8415518 0.81 HSD11B1 (0.67) HSD11B1MAPTCA2CA1CA12
SCHEMBL30963225 0.81 HTT (0.66) MAPTGAAHTTALDH1A1CYP2C19
SCHEMBL19332554 0.80 CYP2C19 (0.50) HSD11B1MAPTGAAHTTALDH1A1
Ammonia Solution, Strong SCHEMBL8416593 0.79 HSD11B1 (0.65) HSD11B1MAPTCA2CA1CA12
SCHEMBL1203950 0.78 TSHR (0.58) MAPTGAAHTTALDH1A1CYP2C19
SCHEMBL341611 0.77 LOXL2 (0.50) MAPTGAAHTTALDH1A1CYP2C19
SCHEMBL18480794 0.77 CA12 (0.53) MAPTALDH1A1CYP2C19TSHRCA2
SCHEMBL2338220 0.77 CA2 (0.52) ALDH1A1CA2CA1MMP13KMT2A
SCHEMBL515031 0.77 LOXL2 (0.53) HTTALDH1A1CYP2C19TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548989-A Preparation process and production line of 4-nitrophenyl-2-methylsulfonyl acetate 浙江倍合德制药有限公司 2021-10-26 CN claimed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP claimed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP claimed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 WO claimed
CN-113548989-A Preparation process and production line of 4-nitrophenyl-2-methylsulfonyl acetate 浙江倍合德制药有限公司 2021-10-26 CN disclosed
CN-113548989-A Preparation process and production line of 4-nitrophenyl-2-methylsulfonyl acetate 浙江倍合德制药有限公司 2021-10-26 CN disclosed
CN-113548989-A Preparation process and production line of 4-nitrophenyl-2-methylsulfonyl acetate 浙江倍合德制药有限公司 2021-10-26 CN disclosed
US-8735620-B2 Processes for preparing (E)-styrylbenzylsulfone compounds and uses thereof for treating proliferative disorders EPR PHARMACEUTICALS PVT. LTD (IN) 2014-05-27 US disclosed
US-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS EPR PHARMACEUTICALS PVT.LTD 2010-06-17 US disclosed
EP-1292308-B1 ALPHA,BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2010-06-09 EP disclosed
EP-1223923-B1 UNSATURATED ARYL SULFONES FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2010-03-31 EP disclosed
EP-1328511-B1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2010-03-24 EP disclosed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP disclosed
EP-1223923-A1 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-07-24 EP disclosed
WO-2002028828-A1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-04-11 WO disclosed
US-20020028818-A1 Alpha, beta-unsaturated sulfones for treating proliferative disorders TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-03-07 US disclosed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP disclosed
WO-2001078733-A1 ALPHA,BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-10-25 WO disclosed
WO-2001026645-A1 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-04-19 WO disclosed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 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 (2 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-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS PCNA, CDC25B, CCNB1 HSD11B1 643/4885MAPT 4805/4885GAA 822/4885
US-20020028818-A1 Alpha, beta-unsaturated sulfones for treating proliferative disorders QSOX1, CBR1, DEGS1 HSD11B1 290/4885MAPT 4864/4885GAA 3007/4885

“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.