SCHEMBL2337463

SCHEMBL2337463

COC(C(=O)O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
RECQL P46063 1/20 0.49
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2651384 0.80 TSHR (0.54) CYP2C19CYP2D6CYP2C9RECQLTSHR
SCHEMBL2342303 0.80 PRSS1 (0.45) MMP13TSHRALDH1A1CYP1A2SMN1; SMN2
SCHEMBL14923016 0.77 CYP2D6 (0.52) CYP2C19CYP2D6CYP2C9RECQLTSHR
SCHEMBL496751 0.77 TSHR (0.61) CYP2C19CYP2D6CYP2C9MMP13TSHR
SCHEMBL14060330 0.76 TSHR (0.56) CYP2C19CYP2D6CYP2C9TSHRMAOB
SCHEMBL1016551 0.75 TSHR (0.59) CYP2C19CYP2D6CYP2C9TSHRMAOB
Hydrochloric Acid SCHEMBL27821527 0.75 TSHR (0.59) CYP2C19CYP2D6CYP2C9MMP13TSHR
SCHEMBL8870409 0.75 TSHR (0.59) CYP2C19CYP2D6CYP2C9MMP13TSHR
SCHEMBL7131786 0.75 TSHR (0.62) CYP2C19CYP2D6CYP2C9TSHRALDH1A1
SCHEMBL26640739 0.75 TSHR (0.48) CYP2C19CYP2D6CYP2C9RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2359819-A1 Substituted styryl benzylsulfones for treating proliferative disorders Temple University - Of The Commonwealth System of Higher Education (US) 2011-08-24 EP disclosed
EP-1328511-B1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2010-03-24 EP disclosed
US-7053123-B2 Substituted (e)-styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-05-30 US disclosed
EP-1328511-A4 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2005-11-30 EP disclosed
US-20050101528-A1 Substituted (e)-styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2005-05-12 US disclosed
US-6642410-B2 Useful as antiproliferative agents, including, for example, anticancer agents TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-04 US disclosed
EP-1328511-A1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-07-23 EP disclosed
EP-1305015-A4 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2003-05-21 EP disclosed
EP-1305015-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-05-02 EP disclosed
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents REDDY E PREMKUMAR (US) 2003-02-20 US disclosed
US-6486210-B2 SUCH AS ENANTIOMORPHS OF 4-FLUOROSTYRYL-2,3,4,5,6-PENTAFLUOROBENZYLSULFONE; ANTIPROLIFERATIVE/ANTICANCER AGENTS Temple University—Of the Commonwealth System of Higher Education 2002-11-26 US disclosed
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-08-22 US 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
WO-2001078712-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-10-25 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 (3 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-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 CYP2C19 4036/4885CYP2D6 3810/4885CYP2C9 4435/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS CYP2C19 4680/4885CYP2D6 2646/4885CYP2C9 4750/4885
US-20050101528-A1 Substituted (e)-styryl benzylsulfones for treating proliferative disorders CCNO, HCCS, CCNT1 CYP2C19 4165/4885CYP2D6 2116/4885CYP2C9 4417/4885

“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.