SCHEMBL2335231

SCHEMBL2335231

C#Cc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
NR3C1 P04150 1/20 0.53
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
PTGS1 P23219 1/20 0.50
TNFSF11 O14788 1/20 0.50
VCP P55072 1/20 0.47
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.42
CBS P35520 1/20 0.42

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
SCHEMBL10669643 0.85 TSHR (0.58) TSHRNR3C1JUNNFKB1PTGS1
SCHEMBL11673708 0.83 TSHR (0.57) TSHRNR3C1JUNNFKB1PTGS1
SCHEMBL30360640 0.82 CA2 (0.48) TSHRNR3C1ALDH1A1KDM4EMAPT
SCHEMBL168783 0.82 CA2 (0.48) TSHRNR3C1ALDH1A1KDM4EMAPT
SCHEMBL3828722 0.80 CYP4F2 (0.44) TSHRNR3C1RAB9AALDH1A1KDM4E
Formic Acid SCHEMBL27768982 0.79 TSHR (0.47) TSHRPTGS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7632890 0.78 HTT (0.44) TSHRSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL21241105 0.78 LMNA (0.37) PKMSMN1; SMN2L3MBTL1
SCHEMBL10425842 0.77 TSHR (0.66) TSHRNR3C1JUNNFKB1PTGS1
SCHEMBL23614061 0.77 TNFSF11 (0.50) TSHRNR3C1JUNNFKB1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305015-B1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2013-06-12 EP disclosed
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-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO disclosed
EP-1379228-A4 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF UNIV TEMPLE (US) 2006-01-04 EP disclosed
US-6833480-B2 Useful in inhibiting proliferation of and/or killing cancer cells TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-12-21 US disclosed
US-20040133030-A1 (Z)-styrylbenzylsulfones and pharmaceutical uses thereof TEMPLE UNIVERSITY - OF THE COMMOWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-08 US disclosed
EP-1379228-A1 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2004-01-14 EP 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-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
WO-2002067913-A8 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF UNIV TEMPLE (US) 2002-11-14 WO disclosed
WO-2002067913-A1 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-06 WO 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-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 (4 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-20040133030-A1 (Z)-styrylbenzylsulfones and pharmaceutical uses thereof STS, ST14, TP53 TSHR 3442/4885NR3C1 3769/4885JUN 2518/4885
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA TSHR 4181/4885NR3C1 2098/4885JUN 980/4885
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 TSHR 3468/4885NR3C1 2246/4885JUN 1790/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS TSHR 604/4885NR3C1 175/4885JUN 3614/4885

“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.