SCHEMBL3263462

SCHEMBL3263462

CCCCC/C=C(/C(=O)c1ccccc1)S(=O)(=O)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.48
CES1 P23141 5/20 0.48
EPHX2 P34913 2/20 0.40
TBXAS1 P24557 1/20 0.40
NAAA Q02083 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
EP300 Q09472 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL3263465 1.00 CES2 (0.48) CES2CES1EPHX2TBXAS1NAAA
SCHEMBL4473785 0.74 EP300 (0.42) EPHX2EP300SOAT1
SCHEMBL4473788 0.74 EP300 (0.42) EPHX2EP300SOAT1
SCHEMBL7451708 0.74 EP300 (0.64) CES2CES1EPHX2TBXAS1NAAA
Ammonia Solution, Strong SCHEMBL28224094 0.74 EP300 (0.59) CES2CES1EPHX2TBXAS1NAAA
SCHEMBL11560694 0.74 EP300 (0.64) CES2CES1EPHX2TBXAS1NAAA
Bicarbonate SCHEMBL7690247 0.72 TBXAS1 (0.52) CES2CES1TBXAS1
SCHEMBL597783 0.71 EP300 (0.50) CES2CES1EPHX2TBXAS1NAAA
SCHEMBL597781 0.71 EP300 (0.50) CES2CES1EPHX2TBXAS1NAAA
SCHEMBL11778913 0.71 CES2 (0.41) CES2CES1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1027330-B1 STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2004-12-08 EP disclosed
US-20030114538-A1 Styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-06-19 US disclosed
US-6548553-B2 Therapy of proliferative disease other than prostate or breast cancer comprising administering styryl sulfone derivative TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-04-15 US disclosed
US-6359013-B1 BREAST AND PROSTATE CANCER; AFFECT THE MAPK SIGNAL TRANSDUCTION PATHWAY, THEREBY TUMOR CELL GROWTH; INHIBIT THE GROWTH OF TUMOR CELLS WITHOUT AFFECTING NORMAL CELLS; 4-FLUOROSTYRYL 4-BROMOBENZYL SULFONE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-03-19 US disclosed
US-20020022666-A1 Styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-02-21 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 (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-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS PCNA, CDC25B, CCNB1 CES2 1024/4885CES1 998/4885EPHX2 1265/4885
US-20030114538-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 CES2 1576/4885CES1 1179/4885EPHX2 4095/4885
US-20020022666-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 CES2 1576/4885CES1 1179/4885EPHX2 4095/4885

“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.